(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]ammonium Formula: C24H23ClFN2O3+ MolecularWeight: 441.902423

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH2+]C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH2+][C@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)Cl)OC1

InChI

InChI=1S/C24H22ClFN2O3/c25-20-13-16(14-21-23(20)31-12-4-11-30-21)15-27-22(17-5-2-1-3-6-17)24(29)28-19-9-7-18(26)8-10-19/h1-3,5-10,13-14,22,27H,4,11-12,15H2,(H,28,29)/p+1/t22-/m1/s1