N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C23H25BrN4O2 MolecularWeight: 469.3742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C23H25BrN4O2/c1-30-21-7-6-19(24)15-18(21)16-26-23(29)17-8-13-28(14-9-17)22-20(5-4-10-25-22)27-11-2-3-12-27/h2-7,10-12,15,17H,8-9,13-14,16H2,1H3,(H,26,29)