N-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[(E)-1-bromanyl-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]pyridine-4-carboxamide Openeye Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]pyridine-4-carboxamide CAS Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]pyridine-4-carboxamide Traditional Name: N-[(E)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]isonicotinamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NC(=O)C3=CC=NC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1/C(=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=NC=C3)/Br

InChI

InChI=1S/C21H22BrN3O3/c1-28-17-8-4-3-7-16(17)18(22)19(21(27)25-13-5-2-6-14-25)24-20(26)15-9-11-23-12-10-15/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,24,26)/b19-18+