1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-phenyl-piperidin-2-one; ethanedioate; hydrate

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-6-phenyl-piperidin-2-one; ethanedioate; hydrate Openeye Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-phenyl-piperidin-2-one; oxalate; hydrate CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-6-phenyl-2-piperidinone; oxalate; hydrate IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-phenylpiperidin-2-one; oxalate; hydrate Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-6-phenyl-2-piperidone; oxalate; hydrate Formula: C33H39N3O6-2 MolecularWeight: 573.67926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

C1CC(N(C(=O)C1)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/C31H37N3O.C2H2O4.H2O/c35-30-19-10-18-29(26-12-4-1-5-13-26)34(30)21-11-20-32-22-24-33(25-23-32)31(27-14-6-2-7-15-27)28-16-8-3-9-17-28;3-1(4)2(5)6;/h1-9,12-17,29,31H,10-11,18-25H2;(H,3,4)(H,5,6);1H2/p-2