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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(4-methyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-methylpiperazino)ethanone; oxalic acid Formula: C23H29N3O9 MolecularWeight: 491.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3O.2C2H2O4/c1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;2*3-1(4)2(5)6/h4-8,13H,9-12,14H2,1-3H3;2*(H,3,4)(H,5,6)