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

Systemtic Name: 1-[3-[[3-cyano-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide Openeye Name: 1-[3-[[1-[(3-benzyloxyphenyl)methyl]-3-cyano-pyrrolidin-3-yl]amino]-3-oxo-propyl]cyclohexanecarboxamide CAS Name: 1-[3-[[3-cyano-1-[(3-phenylmethoxyphenyl)methyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[3-[[3-cyano-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]cyclohexane-1-carboxamide Traditional Name: 1-[3-[[1-(3-benzoxybenzyl)-3-cyano-pyrrolidin-3-yl]amino]-3-keto-propyl]cyclohexanecarboxamide Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4)C#N)C(=O)N

Isomeric SMILES

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4)C#N)C(=O)N

InChI

InChI=1S/C29H36N4O3/c30-21-29(32-26(34)12-15-28(27(31)35)13-5-2-6-14-28)16-17-33(22-29)19-24-10-7-11-25(18-24)36-20-23-8-3-1-4-9-23/h1,3-4,7-11,18H,2,5-6,12-17,19-20,22H2,(H2,31,35)(H,32,34)