4-chloranyl-N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[1-[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-chlorobenzamide Traditional Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-4-chloro-benzamide Formula: C28H33ClN4O2 MolecularWeight: 493.04022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN4O2/c29-24-13-11-23(12-14-24)26(34)31-25(17-21-7-3-1-4-8-21)27(35)32-28(19-30)15-16-33(20-28)18-22-9-5-2-6-10-22/h2,5-6,9-14,21,25H,1,3-4,7-8,15-18,20H2,(H,31,34)(H,32,35)