4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-oxidanylpropanoic acid

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-oxidanylpropanoic acid Openeye Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-hydroxypropanoic acid CAS Name: 4-[(4-chlorophenyl)methyl]-2-(1-methyl-4-azepanyl)-1-phthalazinone; 2-hydroxypropanoic acid IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one; 2-hydroxypropanoic acid Traditional Name: 4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1-one; lactic acid Formula: C25H30ClN3O4 MolecularWeight: 471.9764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)O.CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)O)O.CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O.C3H6O3/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;1-2(4)3(5)6/h2-3,6-11,18H,4-5,12-15H2,1H3;2,4H,1H3,(H,5,6)