2-[3-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-10-yl)phenyl]ethanenitrile hydrochloride

Systemtic Name: 2-[3-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-10-yl)phenyl]ethanenitrile hydrochloride Openeye Name: 2-[3-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-10-yl)phenyl]acetonitrile hydrochloride CAS Name: 2-[3-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-10-yl)phenyl]acetonitrile hydrochloride IUPAC Name: 2-[3-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-10-yl)phenyl]acetonitrile hydrochloride Traditional Name: 2-[3-(1,2,3,4,5,6-hexahydroazepin[4,5-b]indol-10-yl)phenyl]acetonitrile hydrochloride Formula: C20H20ClN3 MolecularWeight: 337.8459

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C3=C(C=CC=C3N2)C4=CC(=CC=C4)CC#N.Cl

Isomeric SMILES

C1CNCCC2=C1C3=C(C=CC=C3N2)C4=CC(=CC=C4)CC#N.Cl

InChI

InChI=1S/C20H19N3.ClH/c21-10-7-14-3-1-4-15(13-14)16-5-2-6-19-20(16)17-8-11-22-12-9-18(17)23-19;/h1-6,13,22-23H,7-9,11-12H2;1H