5-bromanylpyridine-3-carboxylic acid; 1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

Systemtic Name: 5-bromanylpyridine-3-carboxylic acid; 1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine Openeye Name: 5-bromopyridine-3-carboxylic acid; 1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine CAS Name: 5-bromo-3-pyridinecarboxylic acid; 1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine IUPAC Name: 5-bromopyridine-3-carboxylic acid; 1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine Traditional Name: 5-bromonicotinic acid; (1,4-dimethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)amine Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3CCCCCC3=NC2=C(C=C1)C)N.C1=C(C=NC=C1Br)C(=O)O

Isomeric SMILES

CC1=C2C(=C3CCCCCC3=NC2=C(C=C1)C)N.C1=C(C=NC=C1Br)C(=O)O

InChI

InChI=1S/C16H20N2.C6H4BrNO2/c1-10-8-9-11(2)16-14(10)15(17)12-6-4-3-5-7-13(12)18-16;7-5-1-4(6(9)10)2-8-3-5/h8-9H,3-7H2,1-2H3,(H2,17,18);1-3H,(H,9,10)