(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H18BrN3O4/c23-17-2-3-18-16(9-21(27)30-19(18)10-17)13-29-22(28)15-5-7-26(8-6-15)20-4-1-14(11-24)12-25-20/h1-4,9-10,12,15H,5-8,13H2