1-[3-(3,4,5-trimethoxyphenyl)-1,4-diazepan-1-yl]prop-2-yn-1-one

Systemtic Name: 1-[3-(3,4,5-trimethoxyphenyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Openeye Name: 1-[3-(3,4,5-trimethoxyphenyl)-1,4-diazepan-1-yl]prop-2-yn-1-one CAS Name: 1-[3-(3,4,5-trimethoxyphenyl)-1,4-diazepan-1-yl]-2-propyn-1-one IUPAC Name: 1-[3-(3,4,5-trimethoxyphenyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Traditional Name: 1-[3-(3,4,5-trimethoxyphenyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CN(CCCN2)C(=O)C#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CN(CCCN2)C(=O)C#C

InChI

InChI=1S/C17H22N2O4/c1-5-16(20)19-8-6-7-18-13(11-19)12-9-14(21-2)17(23-4)15(10-12)22-3/h1,9-10,13,18H,6-8,11H2,2-4H3