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

Systemtic Name: 3-butyl-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-[4-(cyanomethoxy)phenyl]methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-[4-(cyanomethoxy)benzylidene]amino]-4-keto-phthalazine-1-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

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

InChI

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