[2-[6-[methyl(3-piperazin-1-ylpropyl)amino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate

Systemtic Name: [2-[6-[methyl(3-piperazin-1-ylpropyl)amino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Openeye Name: [2-[6-[methyl(3-piperazin-1-ylpropyl)amino]-3-pyridyl]-1H-benzimidazol-4-yl] carbamate CAS Name: carbamic acid [2-[6-[methyl-[3-(1-piperazinyl)propyl]amino]-3-pyridinyl]-1H-benzimidazol-4-yl] ester IUPAC Name: [2-[6-[methyl(3-piperazin-1-ylpropyl)amino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Traditional Name: carbamic acid [2-[6-[methyl(3-piperazinopropyl)amino]-3-pyridyl]-1H-benzimidazol-4-yl] ester Formula: C21H27N7O2 MolecularWeight: 409.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCNCC1)C2=NC=C(C=C2)C3=NC4=C(N3)C=CC=C4OC(=O)N

Isomeric SMILES

CN(CCCN1CCNCC1)C2=NC=C(C=C2)C3=NC4=C(N3)C=CC=C4OC(=O)N

InChI

InChI=1S/C21H27N7O2/c1-27(10-3-11-28-12-8-23-9-13-28)18-7-6-15(14-24-18)20-25-16-4-2-5-17(19(16)26-20)30-21(22)29/h2,4-7,14,23H,3,8-13H2,1H3,(H2,22,29)(H,25,26)