N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-1H-quinoline-4-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)19-7-6-15(13-22-19)14-23-21(28)17-12-20(27)24-18-5-3-2-4-16(17)18/h2-7,12-13H,8-11,14H2,1H3,(H,23,28)(H,24,27)