2-[4-[(2-butyl-7-methoxy-indol-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-7-methoxy-indol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-7-methoxy-indol-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-7-methoxy-1-indolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-7-methoxyindol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-7-methoxy-indol-1-yl)methyl]phenyl]benzonitrile Formula: C27H26N2O MolecularWeight: 394.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)OC

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)OC

InChI

InChI=1S/C27H26N2O/c1-3-4-10-24-17-22-9-7-12-26(30-2)27(22)29(24)19-20-13-15-21(16-14-20)25-11-6-5-8-23(25)18-28/h5-9,11-17H,3-4,10,19H2,1-2H3