3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

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