2-[4-[(1-butyl-5,7-dimethyl-indol-2-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-butyl-5,7-dimethyl-indol-2-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-butyl-5,7-dimethyl-indol-2-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(1-butyl-5,7-dimethyl-2-indolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-butyl-5,7-dimethylindol-2-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(1-butyl-5,7-dimethyl-indol-2-yl)methyl]phenyl]benzonitrile Formula: C28H28N2 MolecularWeight: 392.53532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC2=CC(=CC(=C21)C)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=CC2=CC(=CC(=C21)C)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H28N2/c1-4-5-14-30-26(18-25-16-20(2)15-21(3)28(25)30)17-22-10-12-23(13-11-22)27-9-7-6-8-24(27)19-29/h6-13,15-16,18H,4-5,14,17H2,1-3H3