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1-(4-cycloheptylpiperazin-1-yl)-2-phenoxy-ethanone; ethanedioic acid

1-(4-cycloheptylpiperazin-1-yl)-2-phenoxy-ethanone; ethanedioic acid

Systemtic Name:1-(4-cycloheptylpiperazin-1-yl)-2-phenoxy-ethanone; ethanedioic acid
Openeye Name:1-(4-cycloheptylpiperazin-1-yl)-2-phenoxy-ethanone; oxalic acid
CAS Name:1-(4-cycloheptyl-1-piperazinyl)-2-phenoxyethanone; oxalic acid
IUPAC Name:1-(4-cycloheptylpiperazin-1-yl)-2-phenoxyethanone; oxalic acid
Traditional Name:1-(4-cycloheptylpiperazino)-2-phenoxy-ethanone; oxalic acid
Formula: C21H30N2O6
MolecularWeight: 406.4727
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O


Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O


InChI

InChI=1S/C19H28N2O2.C2H2O4/c22-19(16-23-18-10-6-3-7-11-18)21-14-12-20(13-15-21)17-8-4-1-2-5-9-17;3-1(4)2(5)6/h3,6-7,10-11,17H,1-2,4-5,8-9,12-16H2;(H,3,4)(H,5,6)


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