2-[4-[(1-butyl-5-methoxy-indol-2-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-butyl-5-methoxy-indol-2-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(1-butyl-5-methoxy-indol-2-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(1-butyl-5-methoxy-2-indolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-butyl-5-methoxyindol-2-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(1-butyl-5-methoxy-indol-2-yl)methyl]phenyl]benzonitrile Formula: C27H26N2O MolecularWeight: 394.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)OC)C=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)OC)C=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

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