3-butyl-N-[4-(cyanomethoxy)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[4-(cyanomethoxy)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-(cyanomethoxy)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-(cyanomethoxy)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(cyanomethoxy)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-(cyanomethoxy)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OCC#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C21H20N4O3/c1-2-3-13-25-21(27)18-7-5-4-6-17(18)19(24-25)20(26)23-15-8-10-16(11-9-15)28-14-12-22/h4-11H,2-3,13-14H2,1H3,(H,23,26)