1-[4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]-3-oxidanylidene-indene-2-carbonitrile

Systemtic Name: 1-[4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]-3-oxidanylidene-indene-2-carbonitrile Openeye Name: 1-[4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]-3-oxo-indene-2-carbonitrile CAS Name: 1-[4-[(4-methyl-2-propyl-1-benzimidazolyl)methyl]phenyl]-3-oxo-2-indenecarbonitrile IUPAC Name: 1-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-oxoindene-2-carbonitrile Traditional Name: 1-keto-3-[4-[(4-methyl-2-propyl-benzimidazol-1-yl)methyl]phenyl]indene-2-carbonitrile Formula: C28H23N3O MolecularWeight: 417.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=C(C(=O)C5=CC=CC=C54)C#N)C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2N1CC3=CC=C(C=C3)C4=C(C(=O)C5=CC=CC=C54)C#N)C

InChI

InChI=1S/C28H23N3O/c1-3-7-25-30-27-18(2)8-6-11-24(27)31(25)17-19-12-14-20(15-13-19)26-21-9-4-5-10-22(21)28(32)23(26)16-29/h4-6,8-15H,3,7,17H2,1-2H3