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

Systemtic Name: N-(2-azanylethyl)-4-[(4-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[phenethyl(p-tolylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-methylbenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C29H35N5O2 MolecularWeight: 485.6205

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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)C4=CN=CC=C4)C(=O)NCCN

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NCCN

InChI

InChI=1S/C29H35N5O2/c1-22-9-11-24(12-10-22)20-33(17-13-23-6-3-2-4-7-23)26-18-27(28(35)32-16-14-30)34(21-26)29(36)25-8-5-15-31-19-25/h2-12,15,19,26-27H,13-14,16-18,20-21,30H2,1H3,(H,32,35)