N-(4-bromanyl-2-methyl-phenyl)-2,3-diethoxy-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2,3-diethoxy-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2,3-diethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2,3-diethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2,3-diethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2,3-diethoxy-8-keto-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C29H29BrN2O4 MolecularWeight: 549.45556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)NC5=C(C=C(C=C5)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)NC5=C(C=C(C=C5)Br)C)OCC

InChI

InChI=1S/C29H29BrN2O4/c1-4-35-24-15-18-12-13-32-27(22(18)16-25(24)36-5-2)26(20-8-6-7-9-21(20)29(32)34)28(33)31-23-11-10-19(30)14-17(23)3/h6-11,14-16,26-27H,4-5,12-13H2,1-3H3,(H,31,33)