tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl-methyl-carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl-methyl-carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl-methyl-carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl-methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl-methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N5O3 MolecularWeight: 451.56122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N(C)CCC2=CN=CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N(C)CCC2=CN=CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H33N5O3/c1-25(2,3)33-24(32)29-12-5-6-21(17-29)23(31)28(4)13-11-22-15-27-18-30(22)16-20-9-7-19(14-26)8-10-20/h7-10,15,18,21H,5-6,11-13,16-17H2,1-4H3