3-bromanyl-N-[3-[(9-methoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-N-[3-[(9-methoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-N-[3-[(9-methoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzamide CAS Name: 3-bromo-N-[3-[(9-methoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzamide IUPAC Name: 3-bromo-N-[3-[(9-methoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-N-[3-[(4-keto-9-methoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]phenyl]benzamide Formula: C26H21BrN4O3 MolecularWeight: 517.37394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=CC(=NC(=O)N3CC2)NC4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C3=CC(=NC(=O)N3CC2)NC4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H21BrN4O3/c1-34-21-8-9-22-16(13-21)10-11-31-23(22)15-24(30-26(31)33)28-19-6-3-7-20(14-19)29-25(32)17-4-2-5-18(27)12-17/h2-9,12-15H,10-11H2,1H3,(H,29,32)(H,28,30,33)