N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[4-(isobutyrylamino)benzyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3/c1-17(2)24(31)28-19-14-12-18(13-15-19)16-27-25(32)23-21-10-6-7-11-22(21)26(33)30(29-23)20-8-4-3-5-9-20/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)