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

Systemtic Name: N-(2-azanylethyl)-4-[phenethyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[oxo(3-pyridinyl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N5O2/c29-14-16-31-27(34)26-18-25(21-33(26)28(35)24-12-7-15-30-19-24)32(20-23-10-5-2-6-11-23)17-13-22-8-3-1-4-9-22/h1-12,15,19,25-26H,13-14,16-18,20-21,29H2,(H,31,34)