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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-3-(1H-indol-3-yl)-1-keto-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H28BrN3O4 MolecularWeight: 562.45432

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=C(C=CC(=C3)Br)OC)C4=CNC5=CC=CC=C54

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=C(C=CC(=C3)Br)OC)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H28BrN3O4/c1-36-14-13-33-27(23-17-31-24-10-6-5-7-20(23)24)26(21-8-3-4-9-22(21)29(33)35)28(34)32-16-18-15-19(30)11-12-25(18)37-2/h3-12,15,17,26-27,31H,13-14,16H2,1-2H3,(H,32,34)