ethanedioic acid; N-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-methyl-4-pyridin-4-yl-benzamide

Systemtic Name: ethanedioic acid; N-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-methyl-4-pyridin-4-yl-benzamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-4-methoxy-phenyl]-3-methyl-4-(4-pyridyl)benzamide; oxalic acid CAS Name: N-[4-methoxy-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-methyl-4-pyridin-4-ylbenzamide; oxalic acid IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide; oxalic acid Traditional Name: N-[3-(4-benzylpiperazino)-4-methoxy-phenyl]-3-methyl-4-(4-pyridyl)benzamide; oxalic acid Formula: C33H34N4O6 MolecularWeight: 582.64626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=NC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=NC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H32N4O2.C2H2O4/c1-23-20-26(8-10-28(23)25-12-14-32-15-13-25)31(36)33-27-9-11-30(37-2)29(21-27)35-18-16-34(17-19-35)22-24-6-4-3-5-7-24;3-1(4)2(5)6/h3-15,20-21H,16-19,22H2,1-2H3,(H,33,36);(H,3,4)(H,5,6)