methyl 4-[[4-[5-[(2-methylphenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[5-[(2-methylphenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[5-(o-tolylcarbamoylamino)pyrazol-1-yl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[5-[[(2-methylanilino)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[5-[(2-methylphenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[5-(o-tolylcarbamoylamino)pyrazol-1-yl]piperidino]methyl]benzoic acid methyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H29N5O3/c1-18-5-3-4-6-22(18)27-25(32)28-23-11-14-26-30(23)21-12-15-29(16-13-21)17-19-7-9-20(10-8-19)24(31)33-2/h3-11,14,21H,12-13,15-17H2,1-2H3,(H2,27,28,32)