1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(1H-pyrazol-4-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H29N5O2 MolecularWeight: 383.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CNN=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CNN=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C21H29N5O2/c27-21-15-25(12-17-10-23-24-11-17)13-20(28-16-18-6-4-5-9-22-18)14-26(21)19-7-2-1-3-8-19/h4-6,9-11,19-20H,1-3,7-8,12-16H2,(H,23,24)