2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C25H24ClN3O2 MolecularWeight: 433.92996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O2/c1-18-7-9-19(10-8-18)24-22-5-3-4-6-23(22)25(30)29(27-24)17-28(2)15-16-31-21-13-11-20(26)12-14-21/h3-14H,15-17H2,1-2H3