2,2-diphenyl-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-1-yl]butanenitrile

Systemtic Name: 2,2-diphenyl-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-1-yl]butanenitrile Openeye Name: 2,2-diphenyl-4-(4-tetralin-1-yl-1,4-diazepan-1-yl)butanenitrile CAS Name: 2,2-diphenyl-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-1-yl]butanenitrile IUPAC Name: 2,2-diphenyl-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-1-yl]butanenitrile Traditional Name: 2,2-diphenyl-4-(4-tetralin-1-yl-1,4-diazepan-1-yl)butyronitrile Formula: C31H35N3 MolecularWeight: 449.6297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)N3CCCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N3CCCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3/c32-25-31(27-13-3-1-4-14-27,28-15-5-2-6-16-28)19-22-33-20-10-21-34(24-23-33)30-18-9-12-26-11-7-8-17-29(26)30/h1-8,11,13-17,30H,9-10,12,18-24H2