2-[4-[2-[(2,3-dimethylphenyl)amino]pyridin-3-yl]carbonylpiperazin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-[(2,3-dimethylphenyl)amino]pyridin-3-yl]carbonylpiperazin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(2,3-dimethylanilino)pyridine-3-carbonyl]piperazin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[[2-(2,3-dimethylanilino)-3-pyridinyl]-oxomethyl]-1-piperazinyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[2-(2,3-dimethylanilino)pyridine-3-carbonyl]piperazin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[2-(2,3-dimethylanilino)nicotinoyl]piperazino]-N-methyl-N-phenyl-acetamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N(C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H31N5O2/c1-20-9-7-13-24(21(20)2)29-26-23(12-8-14-28-26)27(34)32-17-15-31(16-18-32)19-25(33)30(3)22-10-5-4-6-11-22/h4-14H,15-19H2,1-3H3,(H,28,29)