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

Systemtic Name: 2-[4-(furan-2-yl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide Openeye Name: 2-[4-(2-furyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide CAS Name: 2-[4-(2-furanyl)-1-piperazin-1-iumyl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide IUPAC Name: 2-[4-(furan-2-yl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Traditional Name: 2-[4-(2-furyl)piperazin-1-ium-1-yl]-N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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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=CO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)C[NH+]4CCN(CC4)C5=CC=CO5

InChI

InChI=1S/C26H27N5O2/c1-19-25(20-8-3-2-4-9-20)26(28-22-11-6-5-10-21(22)27-19)29-23(32)18-30-13-15-31(16-14-30)24-12-7-17-33-24/h2-12,17,25H,13-16,18H2,1H3,(H,28,29,32)/p+1/t25-/m1/s1