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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H29N5O3/c1-21(2,3)29-20(28)25-10-8-18(9-11-25)19(27)23-12-16-4-6-17(7-5-16)13-26-15-22-14-24-26/h4-7,14-15,18H,8-13H2,1-3H3,(H,23,27)