N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[o-tolylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C33H41N5O2 MolecularWeight: 539.71094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C33H41N5O2/c1-24-8-5-6-11-27(24)22-37(19-17-25-9-3-2-4-10-25)30-20-31(32(39)36-29-15-13-28(34)14-16-29)38(23-30)33(40)26-12-7-18-35-21-26/h2-12,18,21,28-31H,13-17,19-20,22-23,34H2,1H3,(H,36,39)