1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[3-(1,2,4-triazol-1-yl)propanoyl]-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[3-(1,2,4-triazol-1-yl)propanoyl]-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[3-(1,2,4-triazol-1-yl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-[3-(1,2,4-triazol-1-yl)propanoyl]-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-[3-(1,2,4-triazol-1-yl)propanoyl]-1,4-diazepan-2-one Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCN3C=NC=N3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCN3C=NC=N3)OCC4=CN=CC=C4

InChI

InChI=1S/C22H30N6O3/c29-21(8-10-27-17-24-16-25-27)26-12-20(31-15-18-5-4-9-23-11-18)13-28(22(30)14-26)19-6-2-1-3-7-19/h4-5,9,11,16-17,19-20H,1-3,6-8,10,12-15H2