1-[1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl]isonipecotamide Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H26ClN3O2/c1-13-12-19(14(2)25(13)18-6-4-17(22)5-7-18)20(26)15(3)24-10-8-16(9-11-24)21(23)27/h4-7,12,15-16H,8-11H2,1-3H3,(H2,23,27)