4-[[4-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O3/c24-15-18-5-7-19(8-6-18)16-25-10-12-26(13-11-25)23(29)17-27-20-3-1-2-4-21(20)30-14-9-22(27)28/h1-8H,9-14,16-17H2/p+1