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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-[3-(hydroxymethyl)phenyl]-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-hydroxy-3-[3-(hydroxymethyl)phenyl]-6-isopropylimino-2-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-hydroxy-3-[3-(hydroxymethyl)phenyl]-6-propan-2-ylimino-2-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[1-hydroxy-3-[3-(hydroxymethyl)phenyl]-6-propan-2-yliminopyridin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[1-hydroxy-6-isopropylimino-3-(3-methylolphenyl)-2-pyridyl]acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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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=C3)CO

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-16(2)29-23-11-10-21(20-5-3-4-18(12-20)15-31)22(30(23)33)13-24(32)28-14-17-6-8-19(9-7-17)25(26)27/h3-12,16,31,33H,13-15H2,1-2H3,(H3,26,27)(H,28,32)