2-[[6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid CAS Name: 2-[[6-[3-(4-methyl-1-piperazinyl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid IUPAC Name: 2-[[6-[3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid Traditional Name: 2-[[2-keto-6-[3-(4-methylpiperazino)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC(=C2)C3=CC=C(C(=O)N3)CNC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC(=C2)C3=CC=C(C(=O)N3)CNC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28N4O3/c1-28-12-14-29(15-13-28)21-9-5-8-19(16-21)22-11-10-20(24(30)27-22)17-26-23(25(31)32)18-6-3-2-4-7-18/h2-11,16,23,26H,12-15,17H2,1H3,(H,27,30)(H,31,32)