1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone; ethanedioic acid

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone; ethanedioic acid Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[methyl-(1-methyl-4-piperidyl)amino]ethanone; oxalic acid CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]ethanone; oxalic acid IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone; oxalic acid Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[methyl-(1-methyl-4-piperidyl)amino]ethanone; oxalic acid Formula: C23H30ClN3O5 MolecularWeight: 463.9544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN(C)C3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN(C)C3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28ClN3O.C2H2O4/c1-15-13-20(16(2)25(15)19-7-5-17(22)6-8-19)21(26)14-24(4)18-9-11-23(3)12-10-18;3-1(4)2(5)6/h5-8,13,18H,9-12,14H2,1-4H3;(H,3,4)(H,5,6)