ethyl 4-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H29N5O3S/c1-2-32-24(31)28-14-10-20(11-15-28)26-22(30)18-33-17-19-16-25-29(21-8-4-3-5-9-21)23(19)27-12-6-7-13-27/h3-9,12-13,16,20H,2,10-11,14-15,17-18H2,1H3,(H,26,30)