1-cyclohexyl-2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one; ethanedioic acid

Systemtic Name: 1-cyclohexyl-2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one; ethanedioic acid Openeye Name: 1-cyclohexyl-2-phenyl-4-[4-(2-pyridyl)piperazin-1-yl]butan-1-one; oxalic acid CAS Name: 1-cyclohexyl-2-phenyl-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone; oxalic acid IUPAC Name: 1-cyclohexyl-2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one; oxalic acid Traditional Name: 1-cyclohexyl-2-phenyl-4-[4-(2-pyridyl)piperazino]butan-1-one; oxalic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O.C2H2O4/c29-25(22-11-5-2-6-12-22)23(21-9-3-1-4-10-21)14-16-27-17-19-28(20-18-27)24-13-7-8-15-26-24;3-1(4)2(5)6/h1,3-4,7-10,13,15,22-23H,2,5-6,11-12,14,16-20H2;(H,3,4)(H,5,6)