N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide

Systemtic Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide Openeye Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide CAS Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-phenethyl-2-imidazolyl]-2-phenylethyl]benzamide IUPAC Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-phenethylimidazol-2-yl]-2-phenylethyl]benzamide Traditional Name: N-[(1S)-1-[4-(4-amidinophenyl)-1-phenethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide Formula: C33H31N5O MolecularWeight: 513.63214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(N=C2C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(N=C2[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C33H31N5O/c34-31(35)27-18-16-26(17-19-27)30-23-38(21-20-24-10-4-1-5-11-24)32(36-30)29(22-25-12-6-2-7-13-25)37-33(39)28-14-8-3-9-15-28/h1-19,23,29H,20-22H2,(H3,34,35)(H,37,39)/t29-/m0/s1