ethyl 1-[[2-(5-azanyl-1-phenyl-pyrazol-4-yl)-1,3-oxazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-(5-azanyl-1-phenyl-pyrazol-4-yl)-1,3-oxazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(5-amino-1-phenyl-pyrazol-4-yl)oxazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(5-amino-1-phenyl-4-pyrazolyl)-4-oxazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-amino-1-phenylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(5-amino-1-phenyl-pyrazol-4-yl)oxazole-4-carbonyl]nipecotic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=COC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=COC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H23N5O4/c1-2-29-21(28)14-7-6-10-25(12-14)20(27)17-13-30-19(24-17)16-11-23-26(18(16)22)15-8-4-3-5-9-15/h3-5,8-9,11,13-14H,2,6-7,10,12,22H2,1H3