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

Systemtic Name: [2-[2-[3-(azepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Openeye Name: [2-[2-[3-(azepan-1-yl)propylamino]-3-pyridyl]-1H-benzimidazol-4-yl] carbamate CAS Name: carbamic acid [2-[2-[3-(1-azepanyl)propylamino]-3-pyridinyl]-1H-benzimidazol-4-yl] ester IUPAC Name: [2-[2-[3-(azepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Traditional Name: carbamic acid [2-[2-[3-(azepan-1-yl)propylamino]-3-pyridyl]-1H-benzimidazol-4-yl] ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC2=C(C=CC=N2)C3=NC4=C(N3)C=CC=C4OC(=O)N

Isomeric SMILES

C1CCCN(CC1)CCCNC2=C(C=CC=N2)C3=NC4=C(N3)C=CC=C4OC(=O)N

InChI

InChI=1S/C22H28N6O2/c23-22(29)30-18-10-5-9-17-19(18)27-21(26-17)16-8-6-11-24-20(16)25-12-7-15-28-13-3-1-2-4-14-28/h5-6,8-11H,1-4,7,12-15H2,(H2,23,29)(H,24,25)(H,26,27)