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

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-one Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-2-one CAS Name: 3-[2-(1-azocanyl)-2-oxoethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-piperazinone IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-2-one Traditional Name: 3-[2-(azocan-1-yl)-2-keto-ethyl]-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-2-one Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN2CCNC(=O)C2CC(=O)N3CCCCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/CN2CCNC(=O)C2CC(=O)N3CCCCCCC3

InChI

InChI=1S/C23H33N3O3/c1-29-21-12-6-5-10-19(21)11-9-16-25-17-13-24-23(28)20(25)18-22(27)26-14-7-3-2-4-8-15-26/h5-6,9-12,20H,2-4,7-8,13-18H2,1H3,(H,24,28)/b11-9+