N-(2-bromanyl-4-methyl-phenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C26H24BrN5O MolecularWeight: 502.40566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5)Br

InChI

InChI=1S/C26H24BrN5O/c1-18-9-10-23(22(27)16-18)30-26(33)21-17-29-25(20-7-3-2-6-19(20)21)32-14-12-31(13-15-32)24-8-4-5-11-28-24/h2-11,16-17H,12-15H2,1H3,(H,30,33)