1-(diphenylmethyl)-4-[(4-methoxy-3-nitro-phenyl)methyl]piperazine hydrate dihydrochloride

Systemtic Name: 1-(diphenylmethyl)-4-[(4-methoxy-3-nitro-phenyl)methyl]piperazine hydrate dihydrochloride Openeye Name: 1-benzhydryl-4-[(4-methoxy-3-nitro-phenyl)methyl]piperazine hydrate dihydrochloride CAS Name: 1-(diphenylmethyl)-4-[(4-methoxy-3-nitrophenyl)methyl]piperazine hydrate dihydrochloride IUPAC Name: 1-benzhydryl-4-[(4-methoxy-3-nitrophenyl)methyl]piperazine hydrate dihydrochloride Traditional Name: 1-benzhydryl-4-(4-methoxy-3-nitro-benzyl)piperazine hydrate dihydrochloride Formula: C25H31Cl2N3O4 MolecularWeight: 508.43734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-].O.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-].O.Cl.Cl

InChI

InChI=1S/C25H27N3O3.2ClH.H2O/c1-31-24-13-12-20(18-23(24)28(29)30)19-26-14-16-27(17-15-26)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22;;;/h2-13,18,25H,14-17,19H2,1H3;2*1H;1H2