3-methyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-isopentyloxyphenyl)methyleneamino]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(4-isoamoxybenzylidene)amino]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H24N4O3/c1-15(2)12-13-29-17-10-8-16(9-11-17)14-23-24-21(27)20-18-6-4-5-7-19(18)22(28)26(3)25-20/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)/b23-14+