[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: [2-(4-fluoroanilino)-2-keto-ethyl]-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-ammonium Formula: C21H24FN4O3+ MolecularWeight: 399.438663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O3/c1-14-11-19(27)24-17-5-3-4-6-18(17)26(14)21(29)13-25(2)12-20(28)23-16-9-7-15(22)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,23,28)(H,24,27)/p+1/t14-/m0/s1