N-[1-cyano-3-[(phenylmethyl)-propan-2-yl-amino]propyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide

Systemtic Name: N-[1-cyano-3-[(phenylmethyl)-propan-2-yl-amino]propyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide Openeye Name: N-[3-[benzyl(isopropyl)amino]-1-cyano-propyl]-2-(cyclohexylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[1-cyano-3-[(phenylmethyl)-propan-2-ylamino]propyl]-2-(cyclohexylmethyl)-4-(4-morpholinyl)-4-oxobutanamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]-1-cyanopropyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: N-[3-[benzyl(isopropyl)amino]-1-cyano-propyl]-2-(cyclohexylmethyl)-4-keto-4-morpholino-butyramide Formula: C29H44N4O3 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(C#N)NC(=O)C(CC1CCCCC1)CC(=O)N2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCC(C#N)NC(=O)C(CC1CCCCC1)CC(=O)N2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C29H44N4O3/c1-23(2)33(22-25-11-7-4-8-12-25)14-13-27(21-30)31-29(35)26(19-24-9-5-3-6-10-24)20-28(34)32-15-17-36-18-16-32/h4,7-8,11-12,23-24,26-27H,3,5-6,9-10,13-20,22H2,1-2H3,(H,31,35)