N-(cyanomethyl)-4-methyl-2-[3-[4-[(phenylmethyl)amino]phenyl]phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-[4-[(phenylmethyl)amino]phenyl]phenyl]pentanamide Openeye Name: 2-[3-[4-(benzylamino)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[4-[(phenylmethyl)amino]phenyl]phenyl]pentanamide IUPAC Name: 2-[3-[4-(benzylamino)phenyl]phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-[4-(benzylamino)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)NCC3=CC=CC=C3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)NCC3=CC=CC=C3)C(=O)NCC#N

InChI

InChI=1S/C27H29N3O/c1-20(2)17-26(27(31)29-16-15-28)24-10-6-9-23(18-24)22-11-13-25(14-12-22)30-19-21-7-4-3-5-8-21/h3-14,18,20,26,30H,16-17,19H2,1-2H3,(H,29,31)