3-[(2-butyl-4-chloranyl-5-methanoyl-indol-1-yl)methyl]-2-indol-1-yl-benzenecarbonitrile

Systemtic Name: 3-[(2-butyl-4-chloranyl-5-methanoyl-indol-1-yl)methyl]-2-indol-1-yl-benzenecarbonitrile Openeye Name: 3-[(2-butyl-4-chloro-5-formyl-indol-1-yl)methyl]-2-indol-1-yl-benzonitrile CAS Name: 3-[(2-butyl-4-chloro-5-formyl-1-indolyl)methyl]-2-(1-indolyl)benzonitrile IUPAC Name: 3-[(2-butyl-4-chloro-5-formylindol-1-yl)methyl]-2-indol-1-ylbenzonitrile Traditional Name: 3-[(2-butyl-4-chloro-5-formyl-indol-1-yl)methyl]-2-indol-1-yl-benzonitrile Formula: C29H24ClN3O MolecularWeight: 465.97336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CC=CC(=C3N4C=CC5=CC=CC=C54)C#N)C=CC(=C2Cl)C=O

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=CC(=C3N4C=CC5=CC=CC=C54)C#N)C=CC(=C2Cl)C=O

InChI

InChI=1S/C29H24ClN3O/c1-2-3-10-24-16-25-27(13-12-23(19-34)28(25)30)33(24)18-22-9-6-8-21(17-31)29(22)32-15-14-20-7-4-5-11-26(20)32/h4-9,11-16,19H,2-3,10,18H2,1H3