N-[(4-carbamimidoylphenyl)methyl]-2-[1-oxidanyl-3-(2-phenoxyphenyl)-6-propan-2-ylimino-pyridin-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-oxidanyl-3-(2-phenoxyphenyl)-6-propan-2-ylimino-pyridin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-hydroxy-6-isopropylimino-3-(2-phenoxyphenyl)-2-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-hydroxy-3-(2-phenoxyphenyl)-6-propan-2-ylimino-2-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-hydroxy-3-(2-phenoxyphenyl)-6-propan-2-yliminopyridin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[1-hydroxy-6-isopropylimino-3-(2-phenoxyphenyl)-2-pyridyl]acetamide Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C30H31N5O3/c1-20(2)34-28-17-16-24(25-10-6-7-11-27(25)38-23-8-4-3-5-9-23)26(35(28)37)18-29(36)33-19-21-12-14-22(15-13-21)30(31)32/h3-17,20,37H,18-19H2,1-2H3,(H3,31,32)(H,33,36)