N-(3-chloranyl-4-cyano-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-chloro-4-cyano-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-chloro-4-cyanophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-chloro-4-cyano-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C23H15ClN4O2 MolecularWeight: 414.8438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H15ClN4O2/c24-20-12-17(11-10-16(20)13-25)26-22(29)21-18-8-4-5-9-19(18)23(30)28(27-21)14-15-6-2-1-3-7-15/h1-12H,14H2,(H,26,29)