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

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-phenyl-ethanone; ethanedioic acid Openeye Name: 1-(4-cycloheptylpiperazin-1-yl)-2-phenyl-ethanone; oxalic acid CAS Name: 1-(4-cycloheptyl-1-piperazinyl)-2-phenylethanone; oxalic acid IUPAC Name: 1-(4-cycloheptylpiperazin-1-yl)-2-phenylethanone; oxalic acid Traditional Name: 1-(4-cycloheptylpiperazino)-2-phenyl-ethanone; oxalic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C2H2O4/c22-19(16-17-8-4-3-5-9-17)21-14-12-20(13-15-21)18-10-6-1-2-7-11-18;3-1(4)2(5)6/h3-5,8-9,18H,1-2,6-7,10-16H2;(H,3,4)(H,5,6)