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

Systemtic Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-ethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide Openeye Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-ethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide CAS Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-ethyl-2-imidazolyl]-2-phenylethyl]benzamide IUPAC Name: N-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-ethylimidazol-2-yl]-2-phenylethyl]benzamide Traditional Name: N-[(1S)-1-[4-(4-amidinophenyl)-1-ethyl-imidazol-2-yl]-2-phenyl-ethyl]benzamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(N=C1C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCN1C=C(N=C1[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O/c1-2-32-18-24(20-13-15-21(16-14-20)25(28)29)30-26(32)23(17-19-9-5-3-6-10-19)31-27(33)22-11-7-4-8-12-22/h3-16,18,23H,2,17H2,1H3,(H3,28,29)(H,31,33)/t23-/m0/s1