3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]propanamide

Systemtic Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]propanamide Openeye Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]propanamide CAS Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-indolyl]propanamide IUPAC Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]propanamide Traditional Name: 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]propionamide Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC(=O)N)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC(=O)N)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H17N5O/c22-12-14(21-24-17-6-2-3-7-18(17)25-21)11-15-13-26(10-9-20(23)27)19-8-4-1-5-16(15)19/h1-8,11,13H,9-10H2,(H2,23,27)(H,24,25)/b14-11+