N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thienylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(2-thenyl)amino]-1-m-anisoyl-pyrrolidine-2-carboxamide Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C31H38N4O3S/c1-38-27-10-5-9-23(17-27)31(37)35-20-26(18-29(35)30(36)33-25-14-12-24(32)13-15-25)34(21-28-11-6-16-39-28)19-22-7-3-2-4-8-22/h2-11,16-17,24-26,29H,12-15,18-21,32H2,1H3,(H,33,36)