1-cyclohexyl-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CCN2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/CN2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4)O

InChI

InChI=1S/C27H35N3O4/c1-33-26-16-21(9-10-25(26)31)6-5-15-29-17-24(34-20-22-11-13-28-14-12-22)18-30(27(32)19-29)23-7-3-2-4-8-23/h5-6,9-14,16,23-24,31H,2-4,7-8,15,17-20H2,1H3/b6-5+