N-[(Z)-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H19ClN6O2 MolecularWeight: 386.83546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=NNC(=O)C2=NNC(=O)C3=CC=CC=C32)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=N\NC(=O)C2=NNC(=O)C3=CC=CC=C32)Cl

InChI

InChI=1S/C18H19ClN6O2/c1-3-4-9-25-16(19)14(11(2)24-25)10-20-22-18(27)15-12-7-5-6-8-13(12)17(26)23-21-15/h5-8,10H,3-4,9H2,1-2H3,(H,22,27)(H,23,26)/b20-10-