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

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic 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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c24-19(15-26-20(25)16-9-11-21-12-10-16)22-17-5-7-18(8-6-17)23-13-3-1-2-4-14-23/h5-12H,1-4,13-15H2,(H,22,24)