N-[3-(hydroxymethyl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(hydroxymethyl)phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(3-methylolphenyl)phthalazine-1-carboxamide Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-13(2)11-23-20(26)17-9-4-3-8-16(17)18(22-23)19(25)21-15-7-5-6-14(10-15)12-24/h3-10,13,24H,11-12H2,1-2H3,(H,21,25)