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

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-methyl-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-[4-(4-keto-3H-phthalazin-1-yl)phenyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C28H22ClN3O3 MolecularWeight: 483.94558

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22ClN3O3/c1-3-35-28(34)24-16-25(18-8-12-20(29)13-9-18)32(17(24)2)21-14-10-19(11-15-21)26-22-6-4-5-7-23(22)27(33)31-30-26/h4-16H,3H2,1-2H3,(H,31,33)