(E)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one

Systemtic Name: (E)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one Openeye Name: (E)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one CAS Name: (E)-1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-4-(2,3,4-trimethoxyphenyl)-3-buten-1-one IUPAC Name: (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one Traditional Name: (E)-1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one Formula: C25H37N3O5 MolecularWeight: 459.57838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C25H37N3O5/c1-31-21-12-11-20(24(32-2)25(21)33-3)9-8-10-22(29)28-17-15-26(16-18-28)19-23(30)27-13-6-4-5-7-14-27/h8-9,11-12H,4-7,10,13-19H2,1-3H3/b9-8+