methyl 4-[4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]pentanoate

Systemtic Name: methyl 4-[4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]pentanoate Openeye Name: methyl 4-[4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-1-piperidyl]pentanoate CAS Name: 4-[4-[5-[[(2-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinyl]pentanoic acid methyl ester IUPAC Name: methyl 4-[4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]pentanoate Traditional Name: 4-[4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidino]valeric acid methyl ester Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(CCC(=O)OC)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H28ClN5O3/c1-15(7-8-20(28)30-2)26-13-10-16(11-14-26)27-19(9-12-23-27)25-21(29)24-18-6-4-3-5-17(18)22/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3,(H2,24,25,29)