N-[4-[(4-methoxyphenyl)amino]phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-[(4-methoxyphenyl)amino]phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-methoxyanilino)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-methoxyanilino)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-methoxyanilino)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(p-anisidino)phenyl]-3-phenyl-phthalazine-1-carboxamide Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3/c1-35-23-17-15-20(16-18-23)29-19-11-13-21(14-12-19)30-27(33)26-24-9-5-6-10-25(24)28(34)32(31-26)22-7-3-2-4-8-22/h2-18,29H,1H3,(H,30,33)