1-[4-[3-(1H-benzimidazol-2-yl)butyl]phenyl]-3-oxidanylidene-indene-2-carbonitrile

Systemtic Name: 1-[4-[3-(1H-benzimidazol-2-yl)butyl]phenyl]-3-oxidanylidene-indene-2-carbonitrile Openeye Name: 1-[4-[3-(1H-benzimidazol-2-yl)butyl]phenyl]-3-oxo-indene-2-carbonitrile CAS Name: 1-[4-[3-(1H-benzimidazol-2-yl)butyl]phenyl]-3-oxo-2-indenecarbonitrile IUPAC Name: 1-[4-[3-(1H-benzimidazol-2-yl)butyl]phenyl]-3-oxoindene-2-carbonitrile Traditional Name: 1-[4-[3-(1H-benzimidazol-2-yl)butyl]phenyl]-3-keto-indene-2-carbonitrile Formula: C27H21N3O MolecularWeight: 403.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C32)C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C32)C#N)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H21N3O/c1-17(27-29-23-8-4-5-9-24(23)30-27)10-11-18-12-14-19(15-13-18)25-20-6-2-3-7-21(20)26(31)22(25)16-28/h2-9,12-15,17H,10-11H2,1H3,(H,29,30)