N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(4-chlorobenzyl)pyrazol-3-yl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H18ClN5O2 MolecularWeight: 455.89572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=NN4CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=NN4CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H18ClN5O2/c26-18-12-10-17(11-13-18)16-30-22(14-15-27-30)28-24(32)23-20-8-4-5-9-21(20)25(33)31(29-23)19-6-2-1-3-7-19/h1-15H,16H2,(H,28,32)