ethyl 4-[4-[[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[[1-(3-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C23H30ClN5O4 MolecularWeight: 475.9684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C23H30ClN5O4/c1-3-33-23(32)28-12-9-18(10-13-28)27-21(30)8-5-11-25-22(31)20-15-26-29(16(20)2)19-7-4-6-17(24)14-19/h4,6-7,14-15,18H,3,5,8-13H2,1-2H3,(H,25,31)(H,27,30)