2-methyl-5-[4-[3-methylbutyl-[4-[(phenylmethyl)amino]phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide

Systemtic Name: 2-methyl-5-[4-[3-methylbutyl-[4-[(phenylmethyl)amino]phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide Openeye Name: 5-[4-[4-(benzylamino)-N-isopentyl-anilino]-1-piperidyl]-2-methyl-5-oxo-pentanamide CAS Name: 2-methyl-5-[4-[N-(3-methylbutyl)-4-[(phenylmethyl)amino]anilino]-1-piperidinyl]-5-oxopentanamide IUPAC Name: 5-[4-[4-(benzylamino)-N-(3-methylbutyl)anilino]piperidin-1-yl]-2-methyl-5-oxopentanamide Traditional Name: 5-[4-[4-(benzylamino)-N-isoamyl-anilino]piperidino]-5-keto-2-methyl-valeramide Formula: C29H42N4O2 MolecularWeight: 478.66938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C29H42N4O2/c1-22(2)15-20-33(26-12-10-25(11-13-26)31-21-24-7-5-4-6-8-24)27-16-18-32(19-17-27)28(34)14-9-23(3)29(30)35/h4-8,10-13,22-23,27,31H,9,14-21H2,1-3H3,(H2,30,35)