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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H22ClN3O3/c1-12(2)11-25-21(27)15-8-6-5-7-14(15)19(24-25)20(26)23-17-9-13(3)16(22)10-18(17)28-4/h5-10,12H,11H2,1-4H3,(H,23,26)