3-butyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-(4-dimethylaminophenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-(4-dimethylaminophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-[4-(dimethylamino)benzylidene]amino]-4-keto-phthalazine-1-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-4-5-14-27-22(29)19-9-7-6-8-18(19)20(25-27)21(28)24-23-15-16-10-12-17(13-11-16)26(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)/b23-15+