3-(2-methylpropyl)-4-oxidanylidene-N-(4-phenoxyphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(4-phenoxyphenyl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-(4-phenoxyphenyl)-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(4-phenoxyphenyl)phthalazine-1-carboxamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-17(2)16-28-25(30)22-11-7-6-10-21(22)23(27-28)24(29)26-18-12-14-20(15-13-18)31-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,26,29)