3-butyl-4-oxidanylidene-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(Z)-(1-phenyl-4-pyrazolyl)methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]phthalazine-1-carboxamide Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N6O2/c1-2-3-13-28-23(31)20-12-8-7-11-19(20)21(27-28)22(30)26-24-14-17-15-25-29(16-17)18-9-5-4-6-10-18/h4-12,14-16H,2-3,13H2,1H3,(H,26,30)/b24-14-