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

Systemtic Name: pyridin-2-yl N-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]oxymethyl]-N-methyl-carbamate Openeye Name: 2-pyridyl N-[[4-(4-chloroanilino)phthalazin-1-yl]oxymethyl]-N-methyl-carbamate CAS Name: N-[[4-(4-chloroanilino)-1-phthalazinyl]oxymethyl]-N-methylcarbamic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl N-[[4-(4-chloroanilino)phthalazin-1-yl]oxymethyl]-N-methylcarbamate Traditional Name: N-[[4-(4-chloroanilino)phthalazin-1-yl]oxymethyl]-N-methyl-carbamic acid 2-pyridyl ester Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

CN(COC1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)Cl)C(=O)OC4=CC=CC=N4

Isomeric SMILES

CN(COC1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)Cl)C(=O)OC4=CC=CC=N4

InChI

InChI=1S/C22H18ClN5O3/c1-28(22(29)31-19-8-4-5-13-24-19)14-30-21-18-7-3-2-6-17(18)20(26-27-21)25-16-11-9-15(23)10-12-16/h2-13H,14H2,1H3,(H,25,26)