4-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]-N-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 4-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]-N-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: 4-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]-N-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: 4-[(2-hydroxy-2-phenylethyl)-methylamino]-N-[3-(4-methyl-1-piperazinyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: 4-[(2-hydroxy-2-phenylethyl)-methylamino]-N-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 4-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]-2-keto-N-[3-(4-methylpiperazino)phenyl]-1H-pyridine-3-carboxamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC(=O)C3=C(C=CNC3=O)N(C)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC(=O)C3=C(C=CNC3=O)N(C)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C26H31N5O3/c1-29-13-15-31(16-14-29)21-10-6-9-20(17-21)28-26(34)24-22(11-12-27-25(24)33)30(2)18-23(32)19-7-4-3-5-8-19/h3-12,17,23,32H,13-16,18H2,1-2H3,(H,27,33)(H,28,34)