tert-butyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H29N5O3/c1-21(2,3)29-20(28)25-10-4-5-18(13-25)19(27)23-11-16-6-8-17(9-7-16)12-26-15-22-14-24-26/h6-9,14-15,18H,4-5,10-13H2,1-3H3,(H,23,27)