4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoic acid

Systemtic Name: 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoic acid Openeye Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[[1-(4-pyridyl)-4-piperidyl]methylamino]benzoic acid CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[(1-pyridin-4-yl-4-piperidinyl)methylamino]benzoic acid IUPAC Name: 4-[(5-chloropyridin-2-yl)carbamoyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzoic acid Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[[1-(4-pyridyl)-4-piperidyl]methylamino]benzoic acid Formula: C24H24ClN5O3 MolecularWeight: 465.93206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=C(C=CC(=C2)C(=O)O)C(=O)NC3=NC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1CNC2=C(C=CC(=C2)C(=O)O)C(=O)NC3=NC=C(C=C3)Cl)C4=CC=NC=C4

InChI

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