N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC

InChI

InChI=1S/C22H25N3O4/c1-4-5-12-29-18-11-10-15(13-19(18)28-3)14-23-21(26)20-16-8-6-7-9-17(16)22(27)25(2)24-20/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)