(E)-1-(1,4-diazepan-1-yl)-5-(3,4,5-trimethoxyphenyl)pent-2-en-4-yn-1-one

Systemtic Name: (E)-1-(1,4-diazepan-1-yl)-5-(3,4,5-trimethoxyphenyl)pent-2-en-4-yn-1-one Openeye Name: (E)-1-(1,4-diazepan-1-yl)-5-(3,4,5-trimethoxyphenyl)pent-2-en-4-yn-1-one CAS Name: (E)-1-(1,4-diazepan-1-yl)-5-(3,4,5-trimethoxyphenyl)-1-pent-2-en-4-ynone IUPAC Name: (E)-1-(1,4-diazepan-1-yl)-5-(3,4,5-trimethoxyphenyl)pent-2-en-4-yn-1-one Traditional Name: (E)-1-(1,4-diazepan-1-yl)-5-(3,4,5-trimethoxyphenyl)pent-2-en-4-yn-1-one Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C#CC=CC(=O)N2CCCNCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C#C/C=C/C(=O)N2CCCNCC2

InChI

InChI=1S/C19H24N2O4/c1-23-16-13-15(14-17(24-2)19(16)25-3)7-4-5-8-18(22)21-11-6-9-20-10-12-21/h5,8,13-14,20H,6,9-12H2,1-3H3/b8-5+