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

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c21-15-9-10-22-18(13-15)20(26)27-14-19(25)23-16-5-7-17(8-6-16)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12,14H2,(H,23,25)