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

Systemtic Name: N-(cyanomethyl)-2-[3-[4-[(cyclohexylmethylamino)methyl]phenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-[4-[(cyclohexylmethylamino)methyl]phenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[4-[(cyclohexylmethylamino)methyl]phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-[4-[(cyclohexylmethylamino)methyl]phenyl]phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-[4-[(cyclohexylmethylamino)methyl]phenyl]phenyl]-4-methyl-valeramide Formula: C28H37N3O MolecularWeight: 431.61288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)CNCC3CCCCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)CNCC3CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C28H37N3O/c1-21(2)17-27(28(32)31-16-15-29)26-10-6-9-25(18-26)24-13-11-23(12-14-24)20-30-19-22-7-4-3-5-8-22/h6,9-14,18,21-22,27,30H,3-5,7-8,16-17,19-20H2,1-2H3,(H,31,32)