[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl] 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid [2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid [2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl] ester Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H24ClN3O4/c1-15-19-10-7-11-21(26)24(19)33-23(15)25(31)32-14-22(30)27-12-20-16(2)28-29(17(20)3)13-18-8-5-4-6-9-18/h4-11H,12-14H2,1-3H3,(H,27,30)