tert-butyl 3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[6-(4-methylpiperazino)-3-pyridyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33N5O3 MolecularWeight: 403.51842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H33N5O3/c1-21(2,3)29-20(28)26-9-5-6-16(15-26)19(27)23-17-7-8-18(22-14-17)25-12-10-24(4)11-13-25/h7-8,14,16H,5-6,9-13,15H2,1-4H3,(H,23,27)