methyl 2-[4-[[1-(5-bromanylpyridin-2-yl)piperidin-4-yl]methylcarbamoyl]phenyl]-5-cyano-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-[4-[[1-(5-bromanylpyridin-2-yl)piperidin-4-yl]methylcarbamoyl]phenyl]-5-cyano-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[4-[[1-(5-bromo-2-pyridyl)-4-piperidyl]methylcarbamoyl]phenyl]-5-cyano-1,3-benzoxazole-7-carboxylate CAS Name: 2-[4-[[[1-(5-bromo-2-pyridinyl)-4-piperidinyl]methylamino]-oxomethyl]phenyl]-5-cyano-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[[1-(5-bromopyridin-2-yl)piperidin-4-yl]methylcarbamoyl]phenyl]-5-cyano-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[4-[[1-(5-bromo-2-pyridyl)-4-piperidyl]methylcarbamoyl]phenyl]-5-cyano-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C28H24BrN5O4 MolecularWeight: 574.42526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC(=C1)C#N)N=C(O2)C3=CC=C(C=C3)C(=O)NCC4CCN(CC4)C5=NC=C(C=C5)Br

Isomeric SMILES

COC(=O)C1=C2C(=CC(=C1)C#N)N=C(O2)C3=CC=C(C=C3)C(=O)NCC4CCN(CC4)C5=NC=C(C=C5)Br

InChI

InChI=1S/C28H24BrN5O4/c1-37-28(36)22-12-18(14-30)13-23-25(22)38-27(33-23)20-4-2-19(3-5-20)26(35)32-15-17-8-10-34(11-9-17)24-7-6-21(29)16-31-24/h2-7,12-13,16-17H,8-11,15H2,1H3,(H,32,35)