3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-piperazinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-2-one Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN2CCNC(=O)C2CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/CN2CCNC(=O)C2CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H31N3O3/c1-28-20-11-5-4-9-18(20)10-8-15-24-16-12-23-22(27)19(24)17-21(26)25-13-6-2-3-7-14-25/h4-5,8-11,19H,2-3,6-7,12-17H2,1H3,(H,23,27)/b10-8+