6-methoxy-4-oxidanylidene-N-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide

Systemtic Name: 6-methoxy-4-oxidanylidene-N-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide Openeye Name: 6-methoxy-4-oxo-N-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide CAS Name: 6-methoxy-4-oxo-N-[[3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-1H-quinoline-3-carboxamide IUPAC Name: 6-methoxy-4-oxo-N-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide Traditional Name: 4-keto-6-methoxy-N-[3-[[4-(2-pyrimidyl)piperazino]methyl]benzyl]-1H-quinoline-3-carboxamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC(=C3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC(=C3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H28N6O3/c1-36-21-6-7-24-22(15-21)25(34)23(17-30-24)26(35)31-16-19-4-2-5-20(14-19)18-32-10-12-33(13-11-32)27-28-8-3-9-29-27/h2-9,14-15,17H,10-13,16,18H2,1H3,(H,30,34)(H,31,35)