methyl 1-[2-[5-(4-chloranylpyrazol-1-yl)-2-methyl-phenyl]ethanoylamino]-4-methoxy-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[5-(4-chloranylpyrazol-1-yl)-2-methyl-phenyl]ethanoylamino]-4-methoxy-cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-[5-(4-chloropyrazol-1-yl)-2-methyl-phenyl]acetyl]amino]-4-methoxy-cyclohexanecarboxylate CAS Name: 1-[[2-[5-(4-chloro-1-pyrazolyl)-2-methylphenyl]-1-oxoethyl]amino]-4-methoxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[5-(4-chloropyrazol-1-yl)-2-methylphenyl]acetyl]amino]-4-methoxycyclohexane-1-carboxylate Traditional Name: 1-[[2-[5-(4-chloropyrazol-1-yl)-2-methyl-phenyl]acetyl]amino]-4-methoxy-cyclohexanecarboxylic acid methyl ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C=N2)Cl)CC(=O)NC3(CCC(CC3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C=N2)Cl)CC(=O)NC3(CCC(CC3)OC)C(=O)OC

InChI

InChI=1S/C21H26ClN3O4/c1-14-4-5-17(25-13-16(22)12-23-25)10-15(14)11-19(26)24-21(20(27)29-3)8-6-18(28-2)7-9-21/h4-5,10,12-13,18H,6-9,11H2,1-3H3,(H,24,26)