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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OCC(C)C)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OCC(C)C)Cl

InChI

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