N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-3-(1H-indol-3-yl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H24BrN3O3 MolecularWeight: 518.40176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=C(C=CC(=C3)Br)OC)C4=CNC5=CC=CC=C54

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=C(C=CC(=C3)Br)OC)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H24BrN3O3/c1-31-25(21-15-29-22-10-6-5-7-18(21)22)24(19-8-3-4-9-20(19)27(31)33)26(32)30-14-16-13-17(28)11-12-23(16)34-2/h3-13,15,24-25,29H,14H2,1-2H3,(H,30,32)