N-(2-bromanyl-4-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C28H27BrN4O2 MolecularWeight: 531.44358

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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=C5OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC)Br

InChI

InChI=1S/C28H27BrN4O2/c1-19-11-12-24(23(29)17-19)31-28(34)22-18-30-27(21-8-4-3-7-20(21)22)33-15-13-32(14-16-33)25-9-5-6-10-26(25)35-2/h3-12,17-18H,13-16H2,1-2H3,(H,31,34)