2-[3-(phenethylamino)cycloheptyl]-2,2-diphenyl-ethanenitrile

Systemtic Name: 2-[3-(phenethylamino)cycloheptyl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[3-(phenethylamino)cycloheptyl]-2,2-diphenyl-acetonitrile CAS Name: 2-[3-(phenethylamino)cycloheptyl]-2,2-diphenylacetonitrile IUPAC Name: 2-[3-(phenethylamino)cycloheptyl]-2,2-diphenylacetonitrile Traditional Name: 2-[3-(phenethylamino)cycloheptyl]-2,2-diphenyl-acetonitrile Formula: C29H32N2 MolecularWeight: 408.57778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC(C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC(C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2/c30-23-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)27-18-10-11-19-28(22-27)31-21-20-24-12-4-1-5-13-24/h1-9,12-17,27-28,31H,10-11,18-22H2