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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[o-tolylmethyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-(2-thenyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C30H37N5O2S MolecularWeight: 531.71208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C30H37N5O2S/c1-21-6-2-3-7-23(21)18-34(20-27-9-5-15-38-27)26-16-28(29(36)33-25-12-10-24(31)11-13-25)35(19-26)30(37)22-8-4-14-32-17-22/h2-9,14-15,17,24-26,28H,10-13,16,18-20,31H2,1H3,(H,33,36)