[2-[6-[3-(1,4-diazepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate

Systemtic Name: [2-[6-[3-(1,4-diazepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Openeye Name: [2-[6-[3-(1,4-diazepan-1-yl)propylamino]-3-pyridyl]-1H-benzimidazol-4-yl] carbamate CAS Name: carbamic acid [2-[6-[3-(1,4-diazepan-1-yl)propylamino]-3-pyridinyl]-1H-benzimidazol-4-yl] ester IUPAC Name: [2-[6-[3-(1,4-diazepan-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Traditional Name: carbamic acid [2-[6-[3-(1,4-diazepan-1-yl)propylamino]-3-pyridyl]-1H-benzimidazol-4-yl] ester Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCCNC2=NC=C(C=C2)C3=NC4=C(N3)C=CC=C4OC(=O)N

Isomeric SMILES

C1CNCCN(C1)CCCNC2=NC=C(C=C2)C3=NC4=C(N3)C=CC=C4OC(=O)N

InChI

InChI=1S/C21H27N7O2/c22-21(29)30-17-5-1-4-16-19(17)27-20(26-16)15-6-7-18(25-14-15)24-9-3-12-28-11-2-8-23-10-13-28/h1,4-7,14,23H,2-3,8-13H2,(H2,22,29)(H,24,25)(H,26,27)