8-[3-(3-oxidanidylbenzotriazol-3-ium-1-yl)carbonyl-2-phenyl-phenoxy]-1-piperidin-1-yl-octan-1-one

Systemtic Name: 8-[3-(3-oxidanidylbenzotriazol-3-ium-1-yl)carbonyl-2-phenyl-phenoxy]-1-piperidin-1-yl-octan-1-one Openeye Name: 8-[3-(3-oxidobenzotriazol-3-ium-1-carbonyl)-2-phenyl-phenoxy]-1-(1-piperidyl)octan-1-one CAS Name: 8-[3-[(3-oxido-1-benzotriazol-3-iumyl)-oxomethyl]-2-phenylphenoxy]-1-(1-piperidinyl)-1-octanone IUPAC Name: 8-[3-(3-oxidobenzotriazol-3-ium-1-carbonyl)-2-phenylphenoxy]-1-piperidin-1-yloctan-1-one Traditional Name: 8-[3-(3-oxidobenzotriazol-3-ium-1-carbonyl)-2-phenyl-phenoxy]-1-piperidino-octan-1-one Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCCCCCOC2=CC=CC(=C2C3=CC=CC=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CCCCCCCOC2=CC=CC(=C2C3=CC=CC=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C32H36N4O4/c37-30(34-22-11-5-12-23-34)21-8-2-1-3-13-24-40-29-20-14-17-26(31(29)25-15-6-4-7-16-25)32(38)35-27-18-9-10-19-28(27)36(39)33-35/h4,6-7,9-10,14-20H,1-3,5,8,11-13,21-24H2