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

Systemtic Name: 4-(4-acetamidophenyl)-N-butyl-6-chloranyl-1-methyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-acetamidophenyl)-N-butyl-6-chloro-1-methyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-acetamidophenyl)-N-butyl-6-chloro-1-methyl-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-acetamidophenyl)-N-butyl-6-chloro-1-methyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-acetamidophenyl)-N-butyl-6-chloro-1-methyl-1H-phthalazine-2-carboxamide Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2/c1-4-5-12-24-22(29)27-14(2)19-11-8-17(23)13-20(19)21(26-27)16-6-9-18(10-7-16)25-15(3)28/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,29)(H,25,28)