1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(1H-pyrazol-5-ylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CC=NN3)OCC4=CN=CC=C4

InChI

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