3-[2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[(2-oxo-3-propan-2-yl-1-benzimidazolyl)methyl]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(3-isopropyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propionitrile Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C21H21N5O/c1-15(2)26-19-11-6-5-10-18(19)25(21(26)27)14-20-23-16-8-3-4-9-17(16)24(20)13-7-12-22/h3-6,8-11,15H,7,13-14H2,1-2H3