1-cyclohexyl-4-(3-phenoxypropanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(3-phenoxypropanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(3-phenoxypropanoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-(1-oxo-3-phenoxypropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(3-phenoxypropanoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(3-phenoxypropanoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCOC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)CCOC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C26H33N3O4/c30-25(13-16-32-23-9-5-2-6-10-23)28-17-24(33-20-21-11-14-27-15-12-21)18-29(26(31)19-28)22-7-3-1-4-8-22/h2,5-6,9-12,14-15,22,24H,1,3-4,7-8,13,16-20H2