1-[2-[2-(azepan-4-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-[2-[2-(azepan-4-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: 1-[2-[2-(azepan-4-yl)-2-oxo-ethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-en-1-one CAS Name: 1-[2-[2-(4-azepanyl)-2-oxoethyl]-1-piperazinyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[2-[2-(azepan-4-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[2-[2-(azepan-4-yl)-2-keto-ethyl]piperazino]-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-en-1-one Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)N2CCNCC2CC(=O)C3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C=CC(=O)N2CCNCC2CC(=O)C3CCCNCC3

InChI

InChI=1S/C23H33N3O5/c1-30-20-12-16(13-21(31-2)23(20)29)5-6-22(28)26-11-10-25-15-18(26)14-19(27)17-4-3-8-24-9-7-17/h5-6,12-13,17-18,24-25,29H,3-4,7-11,14-15H2,1-2H3