2-[4-[[4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzonitrile Formula: C33H28N4O MolecularWeight: 496.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC(=C6O5)C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC(=C6O5)C)C

InChI

InChI=1S/C33H28N4O/c1-4-8-30-36-31-22(3)17-26(33-35-28-12-7-9-21(2)32(28)38-33)18-29(31)37(30)20-23-13-15-24(16-14-23)27-11-6-5-10-25(27)19-34/h5-7,9-18H,4,8,20H2,1-3H3