1-[3-[[3-cyano-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide

Systemtic Name: 1-[3-[[3-cyano-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxidanylidene-propyl]cyclohexane-1-carboxamide Openeye Name: 1-[3-[[1-[(2-benzyloxyphenyl)methyl]-3-cyano-pyrrolidin-3-yl]amino]-3-oxo-propyl]cyclohexanecarboxamide CAS Name: 1-[3-[[3-cyano-1-[(2-phenylmethoxyphenyl)methyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[3-[[3-cyano-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]cyclohexane-1-carboxamide Traditional Name: 1-[3-[[1-(2-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=C3OCC4=CC=CC=C4)C#N)C(=O)N

Isomeric SMILES

C1CCC(CC1)(CCC(=O)NC2(CCN(C2)CC3=CC=CC=C3OCC4=CC=CC=C4)C#N)C(=O)N

InChI

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