2-[(5-chloranylpyridin-2-yl)-piperazin-1-ylcarbonyl-amino]-5-methyl-benzoic acid

Systemtic Name: 2-[(5-chloranylpyridin-2-yl)-piperazin-1-ylcarbonyl-amino]-5-methyl-benzoic acid Openeye Name: 2-[(5-chloro-2-pyridyl)-(piperazine-1-carbonyl)amino]-5-methyl-benzoic acid CAS Name: 2-[(5-chloro-2-pyridinyl)-[oxo(1-piperazinyl)methyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[(5-chloropyridin-2-yl)-(piperazine-1-carbonyl)amino]-5-methylbenzoic acid Traditional Name: 2-[(5-chloro-2-pyridyl)-(piperazine-1-carbonyl)amino]-5-methyl-benzoic acid Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC=C(C=C2)Cl)C(=O)N3CCNCC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC=C(C=C2)Cl)C(=O)N3CCNCC3)C(=O)O

InChI

InChI=1S/C18H19ClN4O3/c1-12-2-4-15(14(10-12)17(24)25)23(16-5-3-13(19)11-21-16)18(26)22-8-6-20-7-9-22/h2-5,10-11,20H,6-9H2,1H3,(H,24,25)