2-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]phthalazin-1-one

Systemtic Name: 2-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]phthalazin-1-one Openeye Name: 2-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]phthalazin-1-one CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]methyl-methylamino]methyl]-1-phthalazinone IUPAC Name: 2-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]methyl]phthalazin-1-one Traditional Name: 2-[[[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]phthalazin-1-one Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)CN(C)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)CN(C)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C23H24ClN5O/c1-16-21(17(2)28(26-16)13-19-9-5-7-11-22(19)24)14-27(3)15-29-23(30)20-10-6-4-8-18(20)12-25-29/h4-12H,13-15H2,1-3H3