N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carboxamide Formula: C27H23BrN4O3 MolecularWeight: 531.40052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NCC5=C(C=CC(=C5)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NCC5=C(C=CC(=C5)Br)OC

InChI

InChI=1S/C27H23BrN4O3/c1-16-8-11-19(12-9-16)32-27(34)25-23(20-6-4-5-7-21(20)31(25)2)24(30-32)26(33)29-15-17-14-18(28)10-13-22(17)35-3/h4-14H,15H2,1-3H3,(H,29,33)