3-piperazin-1-ylpropyl 2-(3-oxidanylidene-2-phenethyl-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 3-piperazin-1-ylpropyl 2-(3-oxidanylidene-2-phenethyl-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 3-piperazin-1-ylpropyl 2-(3-oxo-2-phenethyl-1H-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(3-oxo-2-phenethyl-1H-2-benzazepin-4-yl)ethaneperoxoic acid 3-(1-piperazinyl)propyl ester IUPAC Name: 3-piperazin-1-ylpropyl 2-(3-oxo-2-phenethyl-1H-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-2-phenethyl-1H-2-benzazepin-4-yl)peracetic acid 3-piperazinopropyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCOOC(=O)CC2=CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CCCOOC(=O)CC2=CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4/c31-26(34-33-18-6-14-29-16-12-28-13-17-29)20-25-19-23-9-4-5-10-24(23)21-30(27(25)32)15-11-22-7-2-1-3-8-22/h1-5,7-10,19,28H,6,11-18,20-21H2