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

Systemtic Name: 4-oxidanylidene-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(Z)-(1-phenyl-4-pyrazolyl)methylideneamino]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]-3-propyl-phthalazine-1-carboxamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2/c1-2-12-27-22(30)19-11-7-6-10-18(19)20(26-27)21(29)25-23-13-16-14-24-28(15-16)17-8-4-3-5-9-17/h3-11,13-15H,2,12H2,1H3,(H,25,29)/b23-13-