5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c26-21-10-15-28-20-9-5-4-8-19(20)25(21)17-22(27)24-13-11-23(12-14-24)16-18-6-2-1-3-7-18/h1-9H,10-17H2/p+1