2-[(4-bromophenyl)amino]-4-[3-(dimethylamino)propyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-bromophenyl)amino]-4-[3-(dimethylamino)propyl]pyridine-3-carboxylic acid Openeye Name: 2-(4-bromoanilino)-4-[3-(dimethylamino)propyl]pyridine-3-carboxylic acid CAS Name: 2-(4-bromoanilino)-4-[3-(dimethylamino)propyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-bromoanilino)-4-[3-(dimethylamino)propyl]pyridine-3-carboxylic acid Traditional Name: 2-(4-bromoanilino)-4-[3-(dimethylamino)propyl]nicotinic acid Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=C(C(=NC=C1)NC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN(C)CCCC1=C(C(=NC=C1)NC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H20BrN3O2/c1-21(2)11-3-4-12-9-10-19-16(15(12)17(22)23)20-14-7-5-13(18)6-8-14/h5-10H,3-4,11H2,1-2H3,(H,19,20)(H,22,23)