3-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-[[1-(4-chlorobenzyl)pyrazol-3-yl]amino]-6,7-dimethoxy-phthalide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C20H18ClN3O4/c1-26-15-8-7-14-17(18(15)27-2)20(25)28-19(14)22-16-9-10-24(23-16)11-12-3-5-13(21)6-4-12/h3-10,19H,11H2,1-2H3,(H,22,23)