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

Systemtic Name: N-[4-(methylcarbamoyl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[4-(methylcarbamoyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(methylcarbamoyl)phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(methylcarbamoyl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[4-(methylcarbamoyl)phenyl]phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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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)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-13(2)12-25-21(28)17-7-5-4-6-16(17)18(24-25)20(27)23-15-10-8-14(9-11-15)19(26)22-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)