3-butyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c1-3-4-13-27-22(29)19-8-6-5-7-18(19)20(26-27)21(28)25-24-15(2)17-11-9-16(14-23)10-12-17/h5-12H,3-4,13H2,1-2H3,(H,25,28)/b24-15+