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

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OCC(C)C)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OCC(C)C)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-4-11-26-22(28)17-8-6-5-7-16(17)20(25-26)21(27)24-15-9-10-19(18(23)12-15)29-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,27)