N-butyl-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-butyl-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-butyl-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-butyl-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-butyl-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-butyl-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-3-4-13-21-19(24)18-16-7-5-6-8-17(16)20(25)23(22-18)14-9-11-15(26-2)12-10-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)