(1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanophenyl)phenyl]cyclopropane-1-carboxamide

Systemtic Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanophenyl)phenyl]cyclopropane-1-carboxamide Openeye Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanophenyl)phenyl]cyclopropanecarboxamide CAS Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanophenyl)phenyl]-1-cyclopropanecarboxamide IUPAC Name: (1R,2S)-2-(3-carbamimidoylphenyl)-N-[4-(2-cyanophenyl)phenyl]cyclopropane-1-carboxamide Traditional Name: (1R,2S)-2-(3-amidinophenyl)-N-[4-(2-cyanophenyl)phenyl]cyclopropanecarboxamide Formula: C24H20N4O MolecularWeight: 380.4418

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H20N4O/c25-14-18-4-1-2-7-20(18)15-8-10-19(11-9-15)28-24(29)22-13-21(22)16-5-3-6-17(12-16)23(26)27/h1-12,21-22H,13H2,(H3,26,27)(H,28,29)/t21-,22-/m1/s1