N-[3-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(3-nitrophenyl)benzamide

Systemtic Name: N-[3-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(3-nitrophenyl)benzamide Openeye Name: N-[1-benzyl-2-[(3-carbamimidoylphenyl)methyl]-3-hydroxy-propyl]-4-(3-nitrophenyl)benzamide CAS Name: N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(3-nitrophenyl)benzamide IUPAC Name: N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(3-nitrophenyl)benzamide Traditional Name: N-[2-(3-amidinobenzyl)-1-benzyl-3-hydroxy-propyl]-4-(3-nitrophenyl)benzamide Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CC2=CC=CC(=C2)C(=N)N)CO)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CC2=CC=CC(=C2)C(=N)N)CO)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H30N4O4/c32-30(33)26-10-4-8-22(16-26)17-27(20-36)29(18-21-6-2-1-3-7-21)34-31(37)24-14-12-23(13-15-24)25-9-5-11-28(19-25)35(38)39/h1-16,19,27,29,36H,17-18,20H2,(H3,32,33)(H,34,37)