tert-butyl 3-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[2-(1-imidazolylmethyl)phenyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(imidazol-1-ylmethyl)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=CC=CC=C2CN3C=CN=C3

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)26-11-6-9-19(15-26)20(27)24-13-17-7-4-5-8-18(17)14-25-12-10-23-16-25/h4-5,7-8,10,12,16,19H,6,9,11,13-15H2,1-3H3,(H,24,27)