methyl 2-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-oxo-3-phenyl-phthalazine-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-oxo-3-phenylphthalazine-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(4-keto-3-phenyl-phthalazine-1-carbonyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O4/c1-36-28(35)17-11-12-23-21(15-17)22-16-31(14-13-24(22)29-23)27(34)25-19-9-5-6-10-20(19)26(33)32(30-25)18-7-3-2-4-8-18/h2-12,15,29H,13-14,16H2,1H3