2-[4-(azepan-1-yl)-3-cyano-phenyl]pyridine-4-carboxylic acid

Systemtic Name: 2-[4-(azepan-1-yl)-3-cyano-phenyl]pyridine-4-carboxylic acid Openeye Name: 2-[4-(azepan-1-yl)-3-cyano-phenyl]pyridine-4-carboxylic acid CAS Name: 2-[4-(1-azepanyl)-3-cyanophenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[4-(azepan-1-yl)-3-cyanophenyl]pyridine-4-carboxylic acid Traditional Name: 2-[4-(azepan-1-yl)-3-cyano-phenyl]isonicotinic acid Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C19H19N3O2/c20-13-16-11-14(17-12-15(19(23)24)7-8-21-17)5-6-18(16)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H,23,24)