methyl 4-[[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-15-5-7-18(8-6-15)14-27-21(24)20(16(2)25-27)22(28)26(3)13-17-9-11-19(12-10-17)23(29)30-4/h5-12H,13-14H2,1-4H3