4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoic acid Openeye Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[4-piperidyl(4-pyridylmethyl)amino]benzoic acid CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[4-piperidinyl(pyridin-4-ylmethyl)amino]benzoic acid IUPAC Name: 4-[(5-chloropyridin-2-yl)carbamoyl]-3-[piperidin-4-yl(pyridin-4-ylmethyl)amino]benzoic acid Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[4-piperidyl(4-pyridylmethyl)amino]benzoic acid Formula: C24H24ClN5O3 MolecularWeight: 465.93206

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=NC=C2)C3=C(C=CC(=C3)C(=O)O)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1CNCCC1N(CC2=CC=NC=C2)C3=C(C=CC(=C3)C(=O)O)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN5O3/c25-18-2-4-22(28-14-18)29-23(31)20-3-1-17(24(32)33)13-21(20)30(19-7-11-27-12-8-19)15-16-5-9-26-10-6-16/h1-6,9-10,13-14,19,27H,7-8,11-12,15H2,(H,32,33)(H,28,29,31)