(E)-3-(3H-benzimidazol-5-yl)-N-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]prop-2-enamide

Systemtic Name: (E)-3-(3H-benzimidazol-5-yl)-N-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]prop-2-enamide Openeye Name: (E)-3-(3H-benzimidazol-5-yl)-N-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]prop-2-enamide CAS Name: (E)-3-(3H-benzimidazol-5-yl)-N-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-propenamide IUPAC Name: (E)-3-(3H-benzimidazol-5-yl)-N-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]prop-2-enamide Traditional Name: (E)-3-(3H-benzimidazol-5-yl)-N-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]acrylamide Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C#N)CCCCNC(=O)C=CC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C#N)CCCCNC(=O)/C=C/C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C24H25N5O/c25-15-19-3-6-21-16-29(12-9-20(21)13-19)11-2-1-10-26-24(30)8-5-18-4-7-22-23(14-18)28-17-27-22/h3-8,13-14,17H,1-2,9-12,16H2,(H,26,30)(H,27,28)/b8-5+