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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-3-4-11-28-17-10-9-14(12-18(17)27-2)13-22-21(26)19-15-7-5-6-8-16(15)20(25)24-23-19/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,26)(H,24,25)