N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxidanyl-6-phenyl-3-(propan-2-ylamino)phenyl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-oxidanyl-6-phenyl-3-(propan-2-ylamino)phenyl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-hydroxy-3-(isopropylamino)-6-phenyl-phenyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-hydroxy-6-phenyl-3-(propan-2-ylamino)phenyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-hydroxy-6-phenyl-3-(propan-2-ylamino)phenyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-hydroxy-3-(isopropylamino)-6-phenyl-phenyl]acetamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=C(C=C1)C2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

CC(C)NC1=C(C(=C(C=C1)C2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C25H28N4O2/c1-16(2)29-22-13-12-20(18-6-4-3-5-7-18)21(24(22)31)14-23(30)28-15-17-8-10-19(11-9-17)25(26)27/h3-13,16,29,31H,14-15H2,1-2H3,(H3,26,27)(H,28,30)