ethyl N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]phenyl]carbamic acid ethyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N6O3/c1-2-30-21(29)25-18-7-5-17(6-8-18)19(28)22-11-4-12-26-13-15-27(16-14-26)20-23-9-3-10-24-20/h3,5-10H,2,4,11-16H2,1H3,(H,22,28)(H,25,29)