4-tert-butyl-N-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methyl]cyclohexane-1-carboxamide

Systemtic Name: 4-tert-butyl-N-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methyl]cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methyl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[[3-(3-carbamimidoylphenyl)-5-methylphenyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[[3-(3-carbamimidoylphenyl)-5-methylphenyl]methyl]cyclohexane-1-carboxamide Traditional Name: N-[3-(3-amidinophenyl)-5-methyl-benzyl]-4-tert-butyl-cyclohexanecarboxamide Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C26H35N3O/c1-17-12-18(14-22(13-17)20-6-5-7-21(15-20)24(27)28)16-29-25(30)19-8-10-23(11-9-19)26(2,3)4/h5-7,12-15,19,23H,8-11,16H2,1-4H3,(H3,27,28)(H,29,30)