N-[(4-methylphenyl)methyl]-5-[(3S)-3-methylpiperidin-1-yl]carbonyl-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[(3S)-3-methylpiperidin-1-yl]carbonyl-4-oxidanylidene-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Openeye Name: 5-[(3S)-3-methylpiperidine-1-carbonyl]-4-oxo-N-(p-tolylmethyl)-1-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[(3S)-3-methyl-1-piperidinyl]-oxomethyl]-4-oxo-1-[2-(2-pyridinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[(3S)-3-methylpiperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Traditional Name: 4-keto-N-(4-methylbenzyl)-5-[(3S)-3-methylpiperidine-1-carbonyl]-1-[2-(2-pyridyl)ethyl]nicotinamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CN(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)C)CCC4=CC=CC=N4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CN(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)C)CCC4=CC=CC=N4

InChI

InChI=1S/C28H32N4O3/c1-20-8-10-22(11-9-20)16-30-27(34)24-18-31(15-12-23-7-3-4-13-29-23)19-25(26(24)33)28(35)32-14-5-6-21(2)17-32/h3-4,7-11,13,18-19,21H,5-6,12,14-17H2,1-2H3,(H,30,34)/t21-/m0/s1