2-[3-(3-aminophenyl)-6-(2-cyclohexylethylimino)-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-aminophenyl)-6-(2-cyclohexylethylimino)-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-6-(2-cyclohexylethylimino)-1-hydroxy-2-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-6-(2-cyclohexylethylimino)-1-hydroxy-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-6-(2-cyclohexylethylimino)-1-hydroxypyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)-6-(2-cyclohexylethylimino)-1-hydroxy-2-pyridyl]acetamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN=C2C=CC(=C(N2O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N

Isomeric SMILES

C1CCC(CC1)CCN=C2C=CC(=C(N2O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N

InChI

InChI=1S/C29H36N6O2/c30-24-8-4-7-23(17-24)25-13-14-27(33-16-15-20-5-2-1-3-6-20)35(37)26(25)18-28(36)34-19-21-9-11-22(12-10-21)29(31)32/h4,7-14,17,20,37H,1-3,5-6,15-16,18-19,30H2,(H3,31,32)(H,34,36)