N-[[4-(aminomethyl)-4-phenyl-cyclohexyl]methyl]-2-[(3-carbamimidoylphenyl)methylamino]ethanamide

Systemtic Name: N-[[4-(aminomethyl)-4-phenyl-cyclohexyl]methyl]-2-[(3-carbamimidoylphenyl)methylamino]ethanamide Openeye Name: N-[[4-(aminomethyl)-4-phenyl-cyclohexyl]methyl]-2-[(3-carbamimidoylphenyl)methylamino]acetamide CAS Name: N-[[4-(aminomethyl)-4-phenylcyclohexyl]methyl]-2-[(3-carbamimidoylphenyl)methylamino]acetamide IUPAC Name: N-[[4-(aminomethyl)-4-phenylcyclohexyl]methyl]-2-[(3-carbamimidoylphenyl)methylamino]acetamide Traditional Name: 2-[(3-amidinobenzyl)amino]-N-[[4-(aminomethyl)-4-phenyl-cyclohexyl]methyl]acetamide Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CNCC2=CC=CC(=C2)C(=N)N)(CN)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CNC(=O)CNCC2=CC=CC(=C2)C(=N)N)(CN)C3=CC=CC=C3

InChI

InChI=1S/C24H33N5O/c25-17-24(21-7-2-1-3-8-21)11-9-18(10-12-24)15-29-22(30)16-28-14-19-5-4-6-20(13-19)23(26)27/h1-8,13,18,28H,9-12,14-17,25H2,(H3,26,27)(H,29,30)