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

Systemtic Name: 1-cyclohexyl-4-[3-(3-methoxyphenyl)propanoyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[3-(3-methoxyphenyl)propanoyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[3-(3-methoxyphenyl)-1-oxopropyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[3-(3-methoxyphenyl)propanoyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[3-(3-methoxyphenyl)propanoyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4

InChI

InChI=1S/C27H35N3O4/c1-33-24-9-5-6-21(16-24)10-11-26(31)29-17-25(34-20-22-12-14-28-15-13-22)18-30(27(32)19-29)23-7-3-2-4-8-23/h5-6,9,12-16,23,25H,2-4,7-8,10-11,17-20H2,1H3