tert-butyl N-[1-oxidanylidene-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-1-(4-pyridylmethyl)-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]carbamate CAS Name: N-[1-oxo-3-pyridin-4-yl-1-(4-pyridin-4-yl-1-piperazinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-3-pyridin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamate Traditional Name: N-[2-keto-1-(4-pyridylmethyl)-2-[4-(4-pyridyl)piperazino]ethyl]carbamic acid tert-butyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=NC=C1)C(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=NC=C1)C(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H29N5O3/c1-22(2,3)30-21(29)25-19(16-17-4-8-23-9-5-17)20(28)27-14-12-26(13-15-27)18-6-10-24-11-7-18/h4-11,19H,12-16H2,1-3H3,(H,25,29)