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

Systemtic Name: 6-ethoxy-4-oxidanylidene-N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide Openeye Name: 6-ethoxy-4-oxo-N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide CAS Name: 6-ethoxy-4-oxo-N-[[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-1H-quinoline-3-carboxamide IUPAC Name: 6-ethoxy-4-oxo-N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]-1H-quinoline-3-carboxamide Traditional Name: 6-ethoxy-4-keto-N-[4-[[4-(2-pyrimidyl)piperazino]methyl]benzyl]-1H-quinoline-3-carboxamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H30N6O3/c1-2-37-22-8-9-25-23(16-22)26(35)24(18-31-25)27(36)32-17-20-4-6-21(7-5-20)19-33-12-14-34(15-13-33)28-29-10-3-11-30-28/h3-11,16,18H,2,12-15,17,19H2,1H3,(H,31,35)(H,32,36)