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

Systemtic Name: N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[1-(4-isobutoxy-3-methoxy-phenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[1-(4-isobutoxy-3-methoxy-phenyl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(C)NC(=O)C2=NNC(=O)C3=CC=CC=C32)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(C)NC(=O)C2=NNC(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C22H25N3O4/c1-13(2)12-29-18-10-9-15(11-19(18)28-4)14(3)23-22(27)20-16-7-5-6-8-17(16)21(26)25-24-20/h5-11,13-14H,12H2,1-4H3,(H,23,27)(H,25,26)