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

Systemtic Name: [2-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Openeye Name: [2-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-1H-benzimidazol-4-yl] carbamate CAS Name: carbamic acid [2-[6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1H-benzimidazol-4-yl] ester IUPAC Name: [2-[6-(4-benzyl-1,4-diazepan-1-yl)pyridin-3-yl]-1H-benzimidazol-4-yl] carbamate Traditional Name: carbamic acid [2-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridyl]-1H-benzimidazol-4-yl] ester Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C3=NC4=C(N3)C=CC=C4OC(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C3=NC4=C(N3)C=CC=C4OC(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O2/c26-25(32)33-21-9-4-8-20-23(21)29-24(28-20)19-10-11-22(27-16-19)31-13-5-12-30(14-15-31)17-18-6-2-1-3-7-18/h1-4,6-11,16H,5,12-15,17H2,(H2,26,32)(H,28,29)