3-butyl-N-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-(5-cyano-1,2-dimethyl-3-pyrrolyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-4-keto-phthalazine-1-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2/c1-4-5-10-27-21(29)18-9-7-6-8-17(18)19(25-27)20(28)24-23-13-15-11-16(12-22)26(3)14(15)2/h6-9,11,13H,4-5,10H2,1-3H3,(H,24,28)/b23-13-