N-methyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide

Systemtic Name: N-methyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide Openeye Name: N-methyl-5-[4-(m-tolylmethyl)piperazine-1-carbonyl]-4-oxo-1-phenethyl-pyridine-3-carboxamide CAS Name: N-methyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-1-phenethyl-3-pyridinecarboxamide IUPAC Name: N-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-1-phenethylpyridine-3-carboxamide Traditional Name: 4-keto-N-methyl-5-[4-(3-methylbenzyl)piperazine-1-carbonyl]-1-phenethyl-nicotinamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC)CCC4=CC=CC=C4

InChI

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