4-[(1-methylbenzimidazol-2-yl)methyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(1-methylbenzimidazol-2-yl)methyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1-methyl-2-benzimidazolyl)methyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H29N5O2 MolecularWeight: 455.55146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-30-25-12-6-5-11-24(25)29-26(30)18-31-16-23(34-20-22-10-7-13-28-14-22)17-32(27(33)19-31)15-21-8-3-2-4-9-21/h2-14,23H,15-20H2,1H3