N-(4-bromanyl-2-methyl-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C31H26BrFN2O3 MolecularWeight: 573.452143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H26BrFN2O3/c1-19-17-22(32)11-16-27(19)34-30(36)28-25-5-3-4-6-26(25)31(37)35(18-20-7-12-23(33)13-8-20)29(28)21-9-14-24(38-2)15-10-21/h3-17,28-29H,18H2,1-2H3,(H,34,36)