(4-cycloheptylpiperazin-1-yl)-(4-phenylphenyl)methanone; ethanedioic acid

Systemtic Name: (4-cycloheptylpiperazin-1-yl)-(4-phenylphenyl)methanone; ethanedioic acid Openeye Name: (4-cycloheptylpiperazin-1-yl)-(4-phenylphenyl)methanone; oxalic acid CAS Name: (4-cycloheptyl-1-piperazinyl)-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: (4-cycloheptylpiperazin-1-yl)-(4-phenylphenyl)methanone; oxalic acid Traditional Name: (4-cycloheptylpiperazino)-(4-phenylphenyl)methanone; oxalic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O.C2H2O4/c27-24(22-14-12-21(13-15-22)20-8-4-3-5-9-20)26-18-16-25(17-19-26)23-10-6-1-2-7-11-23;3-1(4)2(5)6/h3-5,8-9,12-15,23H,1-2,6-7,10-11,16-19H2;(H,3,4)(H,5,6)