2,6-bis[(4-azidophenyl)methyl]-2-methyl-cyclohexan-1-one

Systemtic Name: 2,6-bis[(4-azidophenyl)methyl]-2-methyl-cyclohexan-1-one Openeye Name: 2,6-bis[(4-azidophenyl)methyl]-2-methyl-cyclohexanone CAS Name: 2,6-bis[(4-azidophenyl)methyl]-2-methyl-1-cyclohexanone IUPAC Name: 2,6-bis[(4-azidophenyl)methyl]-2-methylcyclohexan-1-one Traditional Name: 2,6-bis(4-azidobenzyl)-2-methyl-cyclohexanone Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1=O)CC2=CC=C(C=C2)N=[N+]=[N-])CC3=CC=C(C=C3)N=[N+]=[N-]

Isomeric SMILES

CC1(CCCC(C1=O)CC2=CC=C(C=C2)N=[N+]=[N-])CC3=CC=C(C=C3)N=[N+]=[N-]

InChI

InChI=1S/C21H22N6O/c1-21(14-16-6-10-19(11-7-16)25-27-23)12-2-3-17(20(21)28)13-15-4-8-18(9-5-15)24-26-22/h4-11,17H,2-3,12-14H2,1H3