[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H23N3O3/c24-19(15-26-20(25)18-7-3-4-12-21-18)22-16-8-10-17(11-9-16)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,24)