1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazino]butane-1,4-dione Formula: C21H31N3O3 MolecularWeight: 373.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-27-19-9-5-4-8-18(19)22-14-16-24(17-15-22)21(26)11-10-20(25)23-12-6-2-3-7-13-23/h4-5,8-9H,2-3,6-7,10-17H2,1H3