4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indol-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indol-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indol-1-yl]methyl]benzonitrile Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=C4C=CN(C4=CC=C3)CC5=CC=C(C=C5)C#N)OC

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=C4C=CN(C4=CC=C3)CC5=CC=C(C=C5)C#N)OC

InChI

InChI=1S/C27H22N4O/c1-19-16-31(18-29-19)26-11-10-22(14-27(26)32-2)23-4-3-5-25-24(23)12-13-30(25)17-21-8-6-20(15-28)7-9-21/h3-14,16,18H,17H2,1-2H3