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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-8-keto-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C26H23BrN2O3 MolecularWeight: 491.37642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2C3C4=CC=CC=C4CCN3C(=O)C5=CC=CC=C25

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2C3C4=CC=CC=C4CCN3C(=O)C5=CC=CC=C25

InChI

InChI=1S/C26H23BrN2O3/c1-32-22-11-10-18(27)14-17(22)15-28-25(30)23-20-8-4-5-9-21(20)26(31)29-13-12-16-6-2-3-7-19(16)24(23)29/h2-11,14,23-24H,12-13,15H2,1H3,(H,28,30)