tert-butyl 4-(2-methyl-4-pyridin-3-yl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methyl-4-pyridin-3-yl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-methyl-4-(3-pyridyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-4-(3-pyridinyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methyl-4-pyridin-3-ylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-[2-methyl-4-(3-pyridyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CN=CC=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CN=CC=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N3O3/c1-16-14-17(18-6-5-9-23-15-18)7-8-19(16)20(26)24-10-12-25(13-11-24)21(27)28-22(2,3)4/h5-9,14-15H,10-13H2,1-4H3