3-butyl-4-oxidanylidene-N-[(E)-1-pyridin-3-ylethylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(E)-1-pyridin-3-ylethylideneamino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(E)-1-(3-pyridyl)ethylideneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(E)-1-(3-pyridinyl)ethylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(E)-1-pyridin-3-ylethylideneamino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-1-(3-pyridyl)ethylideneamino]phthalazine-1-carboxamide Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-3-4-12-25-20(27)17-10-6-5-9-16(17)18(24-25)19(26)23-22-14(2)15-8-7-11-21-13-15/h5-11,13H,3-4,12H2,1-2H3,(H,23,26)/b22-14+