ethyl 2-methyl-5-(4-methylphenyl)-1-[4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-5-(4-methylphenyl)-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-methylphenyl)-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Traditional Name: 1-[4-(4-keto-3H-phthalazin-1-yl)phenyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C29H25N3O3/c1-4-35-29(34)25-17-26(20-11-9-18(2)10-12-20)32(19(25)3)22-15-13-21(14-16-22)27-23-7-5-6-8-24(23)28(33)31-30-27/h5-17H,4H2,1-3H3,(H,31,33)