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

Systemtic Name: N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]cyclohexanecarboxamide Openeye Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[1-[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]cyclohexanecarboxamide Traditional Name: N-[2-[(1-benzyl-3-cyano-pyrrolidin-3-yl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]cyclohexanecarboxamide Formula: C28H40N4O2 MolecularWeight: 464.6428

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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)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3=CC=CC=C3)C#N)NC(=O)C4CCCCC4

InChI

InChI=1S/C28H40N4O2/c29-20-28(16-17-32(21-28)19-23-12-6-2-7-13-23)31-27(34)25(18-22-10-4-1-5-11-22)30-26(33)24-14-8-3-9-15-24/h2,6-7,12-13,22,24-25H,1,3-5,8-11,14-19,21H2,(H,30,33)(H,31,34)