N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-3-13-27-22(29)19-7-5-4-6-18(19)20(26-27)21(28)25-24-15(2)16-8-10-17(11-9-16)30-14-12-23/h4-11H,3,13-14H2,1-2H3,(H,25,28)/b24-15-