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

Systemtic Name: N-[1-cyano-2-[ethyl-(phenylmethyl)amino]ethyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide Openeye Name: N-[2-[benzyl(ethyl)amino]-1-cyano-ethyl]-2-(cyclohexylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[1-cyano-2-[ethyl-(phenylmethyl)amino]ethyl]-2-(cyclohexylmethyl)-4-(4-morpholinyl)-4-oxobutanamide IUPAC Name: N-[2-[benzyl(ethyl)amino]-1-cyanoethyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: N-[2-[benzyl(ethyl)amino]-1-cyano-ethyl]-2-(cyclohexylmethyl)-4-keto-4-morpholino-butyramide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC(C#N)NC(=O)C(CC2CCCCC2)CC(=O)N3CCOCC3

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC(C#N)NC(=O)C(CC2CCCCC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C27H40N4O3/c1-2-30(20-23-11-7-4-8-12-23)21-25(19-28)29-27(33)24(17-22-9-5-3-6-10-22)18-26(32)31-13-15-34-16-14-31/h4,7-8,11-12,22,24-25H,2-3,5-6,9-10,13-18,20-21H2,1H3,(H,29,33)