PNU-22394

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	200.28 g/mol [1]
Predicted LogP	1.9 [1]

Structural Identifiers []
Molecular formula	C13H16N2 [1]
IUPAC name	6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole [1]
SMILES	CN1C2=C(CCNCC2)C3=CC=CC=C31 [1]
InChI	InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3 [1]
InChIKey	ZBXDOQWPGBISAR-UHFFFAOYSA-N [1]

PNU-22394

PNU-22394 (also known as 1,2,3,4,5,6-Hexahydro-6-methylazepino(4,5-b)indole, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-methyl-, 1,2,3,4,5,6-Hexahydro-6-methylazepino[4,5-b]indole, 6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole, 6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole or 6-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride) is a substance of the tryptamine class.

Chemistry