1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-5-phenyl-piperidin-2-one; ethanedioic acid

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-5-phenyl-piperidin-2-one; ethanedioic acid Openeye Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-phenyl-piperidin-2-one; oxalic acid CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-5-phenyl-2-piperidinone; oxalic acid IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-5-phenylpiperidin-2-one; oxalic acid Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-5-phenyl-2-piperidone; oxalic acid Formula: C33H39N3O5 MolecularWeight: 557.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C2=CC=CC=C2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)N(CC1C2=CC=CC=C2)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H37N3O.C2H2O4/c35-30-18-17-29(26-11-4-1-5-12-26)25-34(30)20-10-19-32-21-23-33(24-22-32)31(27-13-6-2-7-14-27)28-15-8-3-9-16-28;3-1(4)2(5)6/h1-9,11-16,29,31H,10,17-25H2;(H,3,4)(H,5,6)