2-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4,5-dimethoxy-isoindole-1,3-dione

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4,5-dimethoxy-isoindole-1,3-dione Openeye Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4,5-dimethoxy-isoindoline-1,3-dione CAS Name: 2-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4,5-dimethoxyisoindole-1,3-dione IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4,5-dimethoxyisoindole-1,3-dione Traditional Name: 2-[1-(4-chlorobenzyl)pyrazol-3-yl]-4,5-dimethoxy-isoindoline-1,3-quinone Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NN(C=C3)CC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)N(C2=O)C3=NN(C=C3)CC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C20H16ClN3O4/c1-27-15-8-7-14-17(18(15)28-2)20(26)24(19(14)25)16-9-10-23(22-16)11-12-3-5-13(21)6-4-12/h3-10H,11H2,1-2H3