N-butyl-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-butyl-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-butyl-3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-butyl-3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-butyl-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-butyl-3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H23N3O4/c1-4-5-10-22-20(25)19-17-8-6-7-9-18(17)21(26)24(23-19)14-11-15(27-2)13-16(12-14)28-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,25)