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

Systemtic Name: butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azepan-2-one Openeye Name: butanedioate; 1-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-2-furyl]methyl]azepan-2-one CAS Name: butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-furanyl]methyl]-2-azepanone IUPAC Name: butanedioate; 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]furan-2-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-2-furyl]methyl]azepan-2-one; succinate Formula: C29H39N3O7-2 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)CN4CCCCCC4=O.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(O3)CN4CCCCCC4=O.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C25H35N3O3.C4H6O4/c1-20(2)30-24-9-6-5-8-23(24)27-16-14-26(15-17-27)18-21-11-12-22(31-21)19-28-13-7-3-4-10-25(28)29;5-3(6)1-2-4(7)8/h5-6,8-9,11-12,20H,3-4,7,10,13-19H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/p-2