4-(4-acetamidophenyl)-N-butyl-6,7-bis(chloranyl)-1-methyl-1H-phthalazine-2-carboxamide

Systemtic Name: 4-(4-acetamidophenyl)-N-butyl-6,7-bis(chloranyl)-1-methyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-acetamidophenyl)-N-butyl-6,7-dichloro-1-methyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-acetamidophenyl)-N-butyl-6,7-dichloro-1-methyl-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-acetamidophenyl)-N-butyl-6,7-dichloro-1-methyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-acetamidophenyl)-N-butyl-6,7-dichloro-1-methyl-1H-phthalazine-2-carboxamide Formula: C22H24Cl2N4O2 MolecularWeight: 447.35756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(C2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)NC(=O)C)Cl)Cl)C

Isomeric SMILES

CCCCNC(=O)N1C(C2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)NC(=O)C)Cl)Cl)C

InChI

InChI=1S/C22H24Cl2N4O2/c1-4-5-10-25-22(30)28-13(2)17-11-19(23)20(24)12-18(17)21(27-28)15-6-8-16(9-7-15)26-14(3)29/h6-9,11-13H,4-5,10H2,1-3H3,(H,25,30)(H,26,29)