N-[(E)-(5-azanylidene-3-tert-butyl-1-octyl-pyrazol-4-ylidene)amino]-1,2-benzoxazol-3-amine

Systemtic Name: N-[(E)-(5-azanylidene-3-tert-butyl-1-octyl-pyrazol-4-ylidene)amino]-1,2-benzoxazol-3-amine Openeye Name: N-[(E)-(3-tert-butyl-5-imino-1-octyl-pyrazol-4-ylidene)amino]-1,2-benzoxazol-3-amine CAS Name: N-[(E)-(3-tert-butyl-5-imino-1-octyl-4-pyrazolylidene)amino]-1,2-benzoxazol-3-amine IUPAC Name: N-[(E)-(3-tert-butyl-5-imino-1-octylpyrazol-4-ylidene)amino]-1,2-benzoxazol-3-amine Traditional Name: [(E)-(3-tert-butyl-5-imino-1-octyl-2-pyrazolin-4-ylidene)amino]-indoxazen-3-yl-amine Formula: C22H32N6O MolecularWeight: 396.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C(=NNC2=NOC3=CC=CC=C32)C(=N1)C(C)(C)C

Isomeric SMILES

CCCCCCCCN1C(=N)/C(=N/NC2=NOC3=CC=CC=C32)/C(=N1)C(C)(C)C

InChI

InChI=1S/C22H32N6O/c1-5-6-7-8-9-12-15-28-20(23)18(19(26-28)22(2,3)4)24-25-21-16-13-10-11-14-17(16)29-27-21/h10-11,13-14,23H,5-9,12,15H2,1-4H3,(H,25,27)/b23-20?,24-18+