3-(2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol-9-yl)benzenecarbonitrile

Systemtic Name: 3-(2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol-9-yl)benzenecarbonitrile Openeye Name: 3-(2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol-9-yl)benzonitrile CAS Name: 3-(2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol-9-yl)benzonitrile IUPAC Name: 3-(2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol-9-yl)benzonitrile Traditional Name: 3-(2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepin[1,7-a]indol-9-yl)benzonitrile Formula: C19H19N3 MolecularWeight: 289.37426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN2C1CC3=C2C=CC(=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CNCCN2C1CC3=C2C=CC(=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H19N3/c20-13-14-2-1-3-15(10-14)16-4-5-19-17(11-16)12-18-6-7-21-8-9-22(18)19/h1-5,10-11,18,21H,6-9,12H2