N-(2-methoxy-5-methyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-(2-methoxy-5-methyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-methoxy-5-methyl-phenyl)phthalazine-1-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H23N3O3/c1-13(2)12-24-21(26)16-8-6-5-7-15(16)19(23-24)20(25)22-17-11-14(3)9-10-18(17)27-4/h5-11,13H,12H2,1-4H3,(H,22,25)