N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(4-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[phenethyl(p-tolylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-methylphenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-methylphenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-methylbenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C31H42N4O2 MolecularWeight: 502.69078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4CC4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4CC4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C31H42N4O2/c1-22-7-9-24(10-8-22)20-34(18-17-23-5-3-2-4-6-23)28-19-29(35(21-28)31(37)25-11-12-25)30(36)33-27-15-13-26(32)14-16-27/h2-10,25-29H,11-21,32H2,1H3,(H,33,36)