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

Systemtic Name: ethanedioic acid; N-[3-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]-3-methyl-4-pyridin-4-yl-benzamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]-3-methyl-4-(4-pyridyl)benzamide; oxalic acid CAS Name: N-[3-(4-ethyl-1-piperazinyl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide; oxalic acid IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]-3-methyl-4-pyridin-4-ylbenzamide; oxalic acid Traditional Name: N-[3-(4-ethylpiperazino)-4-methoxy-phenyl]-3-methyl-4-(4-pyridyl)benzamide; oxalic acid Formula: C28H32N4O6 MolecularWeight: 520.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C4=CC=NC=C4)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C4=CC=NC=C4)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N4O2.C2H2O4/c1-4-29-13-15-30(16-14-29)24-18-22(6-8-25(24)32-3)28-26(31)21-5-7-23(19(2)17-21)20-9-11-27-12-10-20;3-1(4)2(5)6/h5-12,17-18H,4,13-16H2,1-3H3,(H,28,31);(H,3,4)(H,5,6)