5-acetamido-2-[4-(6-chloranylpyridazin-3-yl)-1,4-diazepan-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-(6-chloranylpyridazin-3-yl)-1,4-diazepan-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-(6-chloro-3-pyridazinyl)-1,4-diazepan-1-yl]benzoic acid IUPAC Name: 5-acetamido-2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]benzoic acid Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2CCCN(CC2)C3=NN=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2CCCN(CC2)C3=NN=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H20ClN5O3/c1-12(25)20-13-3-4-15(14(11-13)18(26)27)23-7-2-8-24(10-9-23)17-6-5-16(19)21-22-17/h3-6,11H,2,7-10H2,1H3,(H,20,25)(H,26,27)