1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)-3-pyrrolyl]-2-(4-methyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazino)ethanone; oxalic acid Formula: C29H33N3O9 MolecularWeight: 567.58702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C(=O)CN4CCN(CC4)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C(=O)CN4CCN(CC4)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O.2C2H2O4/c1-19-17-24(25(29)18-27-15-13-26(3)14-16-27)20(2)28(19)23-11-9-22(10-12-23)21-7-5-4-6-8-21;2*3-1(4)2(5)6/h4-12,17H,13-16,18H2,1-3H3;2*(H,3,4)(H,5,6)