butanedioate; 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azepan-2-one

Systemtic Name: butanedioate; 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azepan-2-one Openeye Name: butanedioate; 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-furyl]methyl]azepan-2-one CAS Name: butanedioate; 1-[[5-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-2-furanyl]methyl]-2-azepanone IUPAC Name: butanedioate; 1-[[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[4-(2-methoxyphenyl)piperazino]methyl]-2-furyl]methyl]azepan-2-one; succinate Formula: C27H35N3O7-2 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)CN4CCCCCC4=O.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)CN4CCCCCC4=O.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H31N3O3.C4H6O4/c1-28-22-8-5-4-7-21(22)25-15-13-24(14-16-25)17-19-10-11-20(29-19)18-26-12-6-2-3-9-23(26)27;5-3(6)1-2-4(7)8/h4-5,7-8,10-11H,2-3,6,9,12-18H2,1H3;1-2H2,(H,5,6)(H,7,8)/p-2