[4-(4-cyanophenyl)phenyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21N3O3/c1-2-3-16-29-25(30)23-7-5-4-6-22(23)24(28-29)26(31)32-21-14-12-20(13-15-21)19-10-8-18(17-27)9-11-19/h4-15H,2-3,16H2,1H3