6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 2-keto-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-1H-pyridine-3-carboxylic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)C(=O)O

InChI

InChI=1S/C18H21N3O3/c1-20-9-2-10-21(12-11-20)14-5-3-13(4-6-14)16-8-7-15(18(23)24)17(22)19-16/h3-8H,2,9-12H2,1H3,(H,19,22)(H,23,24)