methyl 6-bromanyl-2-[(4-ethanoylpiperazin-1-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-[(4-ethanoylpiperazin-1-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 2-[(4-acetylpiperazin-1-yl)methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-[(4-acetyl-1-piperazinyl)methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetylpiperazin-1-yl)methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 2-[(4-acetylpiperazino)methyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C24H24BrN3O4 MolecularWeight: 498.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H24BrN3O4/c1-16(29)27-12-10-26(11-13-27)15-28-22(24(31)32-2)21(17-6-4-3-5-7-17)20-14-18(25)8-9-19(20)23(28)30/h3-9,14H,10-13,15H2,1-2H3