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

Systemtic Name: N-[3-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(4-methyl-2-nitro-phenyl)benzamide Openeye Name: N-[1-benzyl-2-[(3-carbamimidoylphenyl)methyl]-3-hydroxy-propyl]-4-(4-methyl-2-nitro-phenyl)benzamide CAS Name: N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methyl-2-nitrophenyl)benzamide IUPAC Name: N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methyl-2-nitrophenyl)benzamide Traditional Name: N-[2-(3-amidinobenzyl)-1-benzyl-3-hydroxy-propyl]-4-(4-methyl-2-nitro-phenyl)benzamide Formula: C32H32N4O4 MolecularWeight: 536.62088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)CO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)CO)[N+](=O)[O-]

InChI

InChI=1S/C32H32N4O4/c1-21-10-15-28(30(16-21)36(39)40)24-11-13-25(14-12-24)32(38)35-29(19-22-6-3-2-4-7-22)27(20-37)18-23-8-5-9-26(17-23)31(33)34/h2-17,27,29,37H,18-20H2,1H3,(H3,33,34)(H,35,38)