2-(9-azanylidene-3-pentan-3-yloxy-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(6),2,4-trien-7-yl)-1-[3-tert-butyl-5-(ethoxymethyl)phenyl]ethanone

Systemtic Name: 2-(9-azanylidene-3-pentan-3-yloxy-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(6),2,4-trien-7-yl)-1-[3-tert-butyl-5-(ethoxymethyl)phenyl]ethanone Openeye Name: 1-[3-tert-butyl-5-(ethoxymethyl)phenyl]-2-[3-(1-ethylpropoxy)-9-imino-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(6),2,4-trien-7-yl]ethanone CAS Name: 1-[3-tert-butyl-5-(ethoxymethyl)phenyl]-2-(9-imino-3-pentan-3-yloxy-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(6),2,4-trien-7-yl)ethanone IUPAC Name: 1-[3-tert-butyl-5-(ethoxymethyl)phenyl]-2-(9-imino-3-pentan-3-yloxy-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(6),2,4-trien-7-yl)ethanone Traditional Name: 1-[3-tert-butyl-5-(ethoxymethyl)phenyl]-2-[3-(1-ethylpropoxy)-9-imino-2,7-diaza-1-azonia-8-azanidabicyclo[4.3.0]nona-1(6),2,4-trien-7-yl]ethanone Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=N[N+]2=C(C=C1)N([N-]C2=N)CC(=O)C3=CC(=CC(=C3)C(C)(C)C)COCC

Isomeric SMILES

CCC(CC)OC1=N[N+]2=C(C=C1)N([N-]C2=N)CC(=O)C3=CC(=CC(=C3)C(C)(C)C)COCC

InChI

InChI=1S/C25H35N5O3/c1-7-20(8-2)33-22-10-11-23-29(28-24(26)30(23)27-22)15-21(31)18-12-17(16-32-9-3)13-19(14-18)25(4,5)6/h10-14,20H,7-9,15-16H2,1-6H3,(H-,26,27,28)