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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)CC2=CC=C(C=C2)N=[N+]=[N-])CC3=CC=C(C=C3)N=[N+]=[N-]

Isomeric SMILES

CC1CC(C(=O)C(C1)CC2=CC=C(C=C2)N=[N+]=[N-])CC3=CC=C(C=C3)N=[N+]=[N-]

InChI

InChI=1S/C21H22N6O/c1-14-10-17(12-15-2-6-19(7-3-15)24-26-22)21(28)18(11-14)13-16-4-8-20(9-5-16)25-27-23/h2-9,14,17-18H,10-13H2,1H3