N-(2-bromanyl-4-methyl-phenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C22H23BrN4O MolecularWeight: 439.34822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4)Br

InChI

InChI=1S/C22H23BrN4O/c1-16-6-7-19(18(23)15-16)25-22(28)17-8-13-27(14-9-17)21-20(5-4-10-24-21)26-11-2-3-12-26/h2-7,10-12,15,17H,8-9,13-14H2,1H3,(H,25,28)