1-[3-[[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide

Systemtic Name: 1-[3-[[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide Openeye Name: 1-[3-[[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxo-propyl]cyclohexanecarboxamide CAS Name: 1-[3-[[3-cyano-1-[(3-phenoxyphenyl)methyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[3-[[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]cyclohexane-1-carboxamide Traditional Name: 1-[3-[[3-cyano-1-(3-phenoxybenzyl)pyrrolidin-3-yl]amino]-3-keto-propyl]cyclohexanecarboxamide Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C#N)C(=O)N

Isomeric SMILES

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C#N)C(=O)N

InChI

InChI=1S/C28H34N4O3/c29-20-28(31-25(33)12-15-27(26(30)34)13-5-2-6-14-27)16-17-32(21-28)19-22-8-7-11-24(18-22)35-23-9-3-1-4-10-23/h1,3-4,7-11,18H,2,5-6,12-17,19,21H2,(H2,30,34)(H,31,33)