2-[2-[4-(3-cyano-4-methyl-3-phenyl-pentyl)-1,4-diazepan-1-yl]ethyl]-3-methyl-2-phenyl-butanenitrile

Systemtic Name: 2-[2-[4-(3-cyano-4-methyl-3-phenyl-pentyl)-1,4-diazepan-1-yl]ethyl]-3-methyl-2-phenyl-butanenitrile Openeye Name: 2-[2-[4-(3-cyano-4-methyl-3-phenyl-pentyl)-1,4-diazepan-1-yl]ethyl]-3-methyl-2-phenyl-butanenitrile CAS Name: 2-[2-[4-(3-cyano-4-methyl-3-phenylpentyl)-1,4-diazepan-1-yl]ethyl]-3-methyl-2-phenylbutanenitrile IUPAC Name: 2-[2-[4-(3-cyano-4-methyl-3-phenylpentyl)-1,4-diazepan-1-yl]ethyl]-3-methyl-2-phenylbutanenitrile Traditional Name: 2-[2-[4-(3-cyano-4-methyl-3-phenyl-pentyl)-1,4-diazepan-1-yl]ethyl]-3-methyl-2-phenyl-butyronitrile Formula: C31H42N4 MolecularWeight: 470.69198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CCCN(CC1)CCC(C#N)(C2=CC=CC=C2)C(C)C)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCN1CCCN(CC1)CCC(C#N)(C2=CC=CC=C2)C(C)C)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C31H42N4/c1-26(2)30(24-32,28-12-7-5-8-13-28)16-20-34-18-11-19-35(23-22-34)21-17-31(25-33,27(3)4)29-14-9-6-10-15-29/h5-10,12-15,26-27H,11,16-23H2,1-4H3