N-[cyano-[1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide

Systemtic Name: N-[cyano-[1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanamide Openeye Name: N-[(1-benzylpyrrolidin-3-yl)-cyano-carbamoyl]-2-(cyclohexylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[[cyano-[1-(phenylmethyl)-3-pyrrolidinyl]amino]-oxomethyl]-2-(cyclohexylmethyl)-4-(4-morpholinyl)-4-oxobutanamide IUPAC Name: N-[(1-benzylpyrrolidin-3-yl)-cyanocarbamoyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: N-[(1-benzylpyrrolidin-3-yl)-cyano-carbamoyl]-2-(cyclohexylmethyl)-4-keto-4-morpholino-butyramide Formula: C28H39N5O4 MolecularWeight: 509.64036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CC(=O)N2CCOCC2)C(=O)NC(=O)N(C#N)C3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC(CC(=O)N2CCOCC2)C(=O)NC(=O)N(C#N)C3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N5O4/c29-21-33(25-11-12-31(20-25)19-23-9-5-2-6-10-23)28(36)30-27(35)24(17-22-7-3-1-4-8-22)18-26(34)32-13-15-37-16-14-32/h2,5-6,9-10,22,24-25H,1,3-4,7-8,11-20H2,(H,30,35,36)