4-[[3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-cyclohexyl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-cyclohexyl]methyl]benzenecarboximidamide Openeye Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-cyclohexyl]methyl]benzamidine CAS Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-2-oxocyclohexyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-2-oxocyclohexyl]methyl]benzenecarboximidamide Traditional Name: 4-[[3-(4-amidinobenzyl)-2-keto-cyclohexyl]methyl]benzamidine Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)CC2=CC=C(C=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(C(=O)C(C1)CC2=CC=C(C=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N4O/c23-21(24)16-8-4-14(5-9-16)12-18-2-1-3-19(20(18)27)13-15-6-10-17(11-7-15)22(25)26/h4-11,18-19H,1-3,12-13H2,(H3,23,24)(H3,25,26)