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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-[(2,4-dimethoxyphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2,4-dimethoxybenzyl)piperazin-2-one Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-27-17-8-7-16(19(13-17)28-2)15-24-12-9-22-21(26)18(24)14-20(25)23-10-5-3-4-6-11-23/h7-8,13,18H,3-6,9-12,14-15H2,1-2H3,(H,22,26)