pyridin-2-yl N-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methyl]-N-methyl-carbamate

Systemtic Name: pyridin-2-yl N-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methyl]-N-methyl-carbamate Openeye Name: 2-pyridyl N-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]-N-methyl-carbamate CAS Name: N-[[4-(4-chloroanilino)-1-phthalazinyl]methyl]-N-methylcarbamic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl N-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]-N-methylcarbamate Traditional Name: N-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]-N-methyl-carbamic acid 2-pyridyl ester Formula: C22H18ClN5O2 MolecularWeight: 419.86362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)Cl)C(=O)OC4=CC=CC=N4

Isomeric SMILES

CN(CC1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)Cl)C(=O)OC4=CC=CC=N4

InChI

InChI=1S/C22H18ClN5O2/c1-28(22(29)30-20-8-4-5-13-24-20)14-19-17-6-2-3-7-18(17)21(27-26-19)25-16-11-9-15(23)10-12-16/h2-13H,14H2,1H3,(H,25,27)