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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[o-tolylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylbenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C35H45N5O2 MolecularWeight: 567.7641

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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)NCC5CCCC(C5)CN

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C35H45N5O2/c1-26-9-5-6-14-31(26)24-39(18-16-27-10-3-2-4-11-27)32-20-33(40(25-32)35(42)30-15-8-17-37-23-30)34(41)38-22-29-13-7-12-28(19-29)21-36/h2-6,8-11,14-15,17,23,28-29,32-33H,7,12-13,16,18-22,24-25,36H2,1H3,(H,38,41)