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

Systemtic Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c1-3-12-26-21(28)18-7-5-4-6-17(18)19(25-26)20(27)24-23-14(2)16-10-8-15(13-22)9-11-16/h4-11H,3,12H2,1-2H3,(H,24,27)/b23-14+