N,N-diethyl-4-[phenyl-[4-(phenylmethyl)piperazin-1-yl]methyl]benzamide; ethanedioic acid

Systemtic Name: N,N-diethyl-4-[phenyl-[4-(phenylmethyl)piperazin-1-yl]methyl]benzamide; ethanedioic acid Openeye Name: 4-[(4-benzylpiperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide; oxalic acid CAS Name: N,N-diethyl-4-[phenyl-[4-(phenylmethyl)-1-piperazinyl]methyl]benzamide; oxalic acid IUPAC Name: 4-[(4-benzylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide; oxalic acid Traditional Name: 4-[(4-benzylpiperazino)-phenyl-methyl]-N,N-diethyl-benzamide; oxalic acid Formula: C31H37N3O5 MolecularWeight: 531.64258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H35N3O.C2H2O4/c1-3-31(4-2)29(33)27-17-15-26(16-18-27)28(25-13-9-6-10-14-25)32-21-19-30(20-22-32)23-24-11-7-5-8-12-24;3-1(4)2(5)6/h5-18,28H,3-4,19-23H2,1-2H3;(H,3,4)(H,5,6)