3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-2-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-[(2-ethoxyphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-ethoxybenzyl)piperazin-2-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-2-27-19-10-6-5-9-17(19)16-24-14-11-22-21(26)18(24)15-20(25)23-12-7-3-4-8-13-23/h5-6,9-10,18H,2-4,7-8,11-16H2,1H3,(H,22,26)