[2-[2-[2-(azepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate

Systemtic Name: [2-[2-[2-(azepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Openeye Name: [2-[2-[2-(azepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazol-4-yl] carbamate CAS Name: carbamic acid [2-[2-[2-(1-azepanyl)ethylamino]-3-pyridinyl]-1H-benzimidazol-4-yl] ester IUPAC Name: [2-[2-[2-(azepan-1-yl)ethylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Traditional Name: carbamic acid [2-[2-[2-(azepan-1-yl)ethylamino]-3-pyridyl]-1H-benzimidazol-4-yl] ester Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC2=C(C=CC=N2)C3=NC4=C(N3)C=CC=C4OC(=O)N

Isomeric SMILES

C1CCCN(CC1)CCNC2=C(C=CC=N2)C3=NC4=C(N3)C=CC=C4OC(=O)N

InChI

InChI=1S/C21H26N6O2/c22-21(28)29-17-9-5-8-16-18(17)26-20(25-16)15-7-6-10-23-19(15)24-11-14-27-12-3-1-2-4-13-27/h5-10H,1-4,11-14H2,(H2,22,28)(H,23,24)(H,25,26)