4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-isobutyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-1-(2-methylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-isobutyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=NC3=CC=CC=C3N2)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)CCC2=NC3=CC=CC=C3N2)OCC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-18(2)13-29-14-20(33-17-19-6-5-11-26-12-19)15-30(16-25(29)32)24(31)10-9-23-27-21-7-3-4-8-22(21)28-23/h3-8,11-12,18,20H,9-10,13-17H2,1-2H3,(H,27,28)