N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4-keto-phthalazine-1-carboxamide Formula: C27H21ClN6O2 MolecularWeight: 496.94764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H21ClN6O2/c1-18-23(25(28)34(31-18)20-12-6-3-7-13-20)16-29-30-26(35)24-21-14-8-9-15-22(21)27(36)33(32-24)17-19-10-4-2-5-11-19/h2-16H,17H2,1H3,(H,30,35)/b29-16+