ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(5-bromanylpyridin-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(5-bromanylpyridin-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-pyridyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromopyridin-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2-pyridyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C24H22BrN3O5 MolecularWeight: 512.35258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=NC=C(C=C5)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=NC=C(C=C5)Br)N

InChI

InChI=1S/C24H22BrN3O5/c1-2-31-24(30)22-20(13-6-8-17-18(10-13)33-12-32-17)21-15(4-3-5-16(21)29)28(23(22)26)19-9-7-14(25)11-27-19/h6-11,20H,2-5,12,26H2,1H3