[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O3/c22-17-7-5-6-16(14-17)21(26)27-15-20(25)23-18-8-10-19(11-9-18)24-12-3-1-2-4-13-24/h5-11,14H,1-4,12-13,15H2,(H,23,25)