4-butyl-5-[imidazol-1-yl(diphenyl)methyl]-2-propanoyl-benzenecarbonitrile

Systemtic Name: 4-butyl-5-[imidazol-1-yl(diphenyl)methyl]-2-propanoyl-benzenecarbonitrile Openeye Name: 4-butyl-5-[imidazol-1-yl(diphenyl)methyl]-2-propanoyl-benzonitrile CAS Name: 4-butyl-5-[1-imidazolyl(diphenyl)methyl]-2-(1-oxopropyl)benzonitrile IUPAC Name: 4-butyl-5-[imidazol-1-yl(diphenyl)methyl]-2-propanoylbenzonitrile Traditional Name: 4-butyl-5-[imidazol-1-yl(diphenyl)methyl]-2-propionyl-benzonitrile Formula: C30H29N3O MolecularWeight: 447.57076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C(=O)CC)C#N)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C(=O)CC)C#N)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C30H29N3O/c1-3-5-12-23-19-27(29(34)4-2)24(21-31)20-28(23)30(33-18-17-32-22-33,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-11,13-20,22H,3-5,12H2,1-2H3