5-[(4-bromophenyl)carbonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-[4-(1-piperidyl)-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-[4-(1-piperidinyl)-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-(4-piperidinopiperidino)nicotinic acid Formula: C23H27BrN4O3 MolecularWeight: 487.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H27BrN4O3/c24-17-6-4-16(5-7-17)22(29)26-18-14-20(23(30)31)21(25-15-18)28-12-8-19(9-13-28)27-10-2-1-3-11-27/h4-7,14-15,19H,1-3,8-13H2,(H,26,29)(H,30,31)