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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-12(2)11-27-17-9-8-13(10-16(17)21)22-19(25)18-14-6-4-5-7-15(14)20(26)24(3)23-18/h4-10,12H,11H2,1-3H3,(H,22,25)