2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Formula: C28H29FN5O+ MolecularWeight: 470.561163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN5O/c1-20-27(21-7-3-2-4-8-21)28(31-25-10-6-5-9-24(25)30-20)32-26(35)19-33-15-17-34(18-16-33)23-13-11-22(29)12-14-23/h2-14,27H,15-19H2,1H3,(H,31,32,35)/p+1/t27-/m1/s1