ethyl 1-(2-oxidanylpropyl)-5-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanylpropyl)-5-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxypropyl)-5-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C)O)NC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C)O)NC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O4/c1-3-30-21(28)19-14-23-26(15-16(2)27)20(19)24-22(29)25-11-9-18(10-12-25)13-17-7-5-4-6-8-17/h4-8,14,16,18,27H,3,9-13,15H2,1-2H3,(H,24,29)