6-azanylidene-N,N-dibutyl-9-(4-fluoranyl-3-methyl-phenyl)xanthen-3-amine

Systemtic Name: 6-azanylidene-N,N-dibutyl-9-(4-fluoranyl-3-methyl-phenyl)xanthen-3-amine Openeye Name: N,N-dibutyl-9-(4-fluoro-3-methyl-phenyl)-6-imino-xanthen-3-amine CAS Name: N,N-dibutyl-9-(4-fluoro-3-methylphenyl)-6-imino-3-xanthenamine IUPAC Name: N,N-dibutyl-9-(4-fluoro-3-methylphenyl)-6-iminoxanthen-3-amine Traditional Name: dibutyl-[9-(4-fluoro-3-methyl-phenyl)-6-imino-xanthen-3-yl]amine Formula: C28H31FN2O MolecularWeight: 430.556943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C(=C3C=CC(=N)C=C3O2)C4=CC(=C(C=C4)F)C

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C(=C3C=CC(=N)C=C3O2)C4=CC(=C(C=C4)F)C

InChI

InChI=1S/C28H31FN2O/c1-4-6-14-31(15-7-5-2)22-10-12-24-27(18-22)32-26-17-21(30)9-11-23(26)28(24)20-8-13-25(29)19(3)16-20/h8-13,16-18,30H,4-7,14-15H2,1-3H3