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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4,5-dimethoxy-isoindole-1,3-dione Openeye Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4,5-dimethoxy-isoindoline-1,3-dione CAS Name: 2-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-4,5-dimethoxyisoindole-1,3-dione IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4,5-dimethoxyisoindole-1,3-dione Traditional Name: 2-[1-(4-chlorobenzyl)pyrazol-4-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=CN(N=C3)CC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

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

InChI

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