N-(2-ethyl-6-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-ethyl-6-methyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-ethyl-6-methylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2-ethyl-6-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O2/c1-3-19-13-9-10-17(2)22(19)26-24(29)23-20-14-7-8-15-21(20)25(30)28(27-23)16-18-11-5-4-6-12-18/h4-15H,3,16H2,1-2H3,(H,26,29)