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

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-methyl-1-[4-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]pyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-[4-(4-keto-3-methyl-phthalazin-1-yl)phenyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C29H24ClN3O3 MolecularWeight: 497.97216

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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=NN(C(=O)C5=CC=CC=C54)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H24ClN3O3/c1-4-36-29(35)25-17-26(19-9-13-21(30)14-10-19)33(18(25)2)22-15-11-20(12-16-22)27-23-7-5-6-8-24(23)28(34)32(3)31-27/h5-17H,4H2,1-3H3