1-(2-fluoranyl-4-methoxy-phenyl)-2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone

Systemtic Name: 1-(2-fluoranyl-4-methoxy-phenyl)-2-[phenyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone Openeye Name: 1-(2-fluoro-4-methoxy-phenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone CAS Name: 1-(2-fluoro-4-methoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone Traditional Name: 1-(2-fluoro-4-methoxy-phenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone Formula: C21H23FN2O2 MolecularWeight: 354.417923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H23FN2O2/c1-26-17-11-12-18(19(22)14-17)20(25)15-24(16-8-4-2-5-9-16)21-10-6-3-7-13-23-21/h2,4-5,8-9,11-12,14H,3,6-7,10,13,15H2,1H3