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-(cyclopropylmethoxymethyl)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-(cyclopropylmethoxymethyl)phenyl]ethanone Openeye Name: 1-[3-tert-butyl-5-(cyclopropylmethoxymethyl)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-(cyclopropylmethoxymethyl)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-(cyclopropylmethoxymethyl)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-(cyclopropylmethoxymethyl)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: C27H37N5O3 MolecularWeight: 479.61438

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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)COCC4CC4

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)COCC4CC4

InChI

InChI=1S/C27H37N5O3/c1-6-22(7-2)35-24-10-11-25-31(30-26(28)32(25)29-24)15-23(33)20-12-19(17-34-16-18-8-9-18)13-21(14-20)27(3,4)5/h10-14,18,22H,6-9,15-17H2,1-5H3,(H-,28,29,30)