3-[3-[(E)-3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-oxoprop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-[3-(1H-benzimidazol-2-yl)piperidino]-3-keto-prop-1-enyl]indol-1-yl]propionitrile Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H25N5O/c27-14-6-16-30-17-19(21-8-1-4-11-24(21)30)12-13-25(32)31-15-5-7-20(18-31)26-28-22-9-2-3-10-23(22)29-26/h1-4,8-13,17,20H,5-7,15-16,18H2,(H,28,29)/b13-12+