1-[2-butyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazol-4-yl]azepan-2-one

Systemtic Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazol-4-yl]azepan-2-one Openeye Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]azepan-2-one CAS Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-4-benzimidazolyl]-2-azepanone IUPAC Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]azepan-2-one Traditional Name: 1-[2-butyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-4-yl]azepan-2-one Formula: C31H33N7O MolecularWeight: 519.64002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C=CC=C2N6CCCCCC6=O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C=CC=C2N6CCCCCC6=O

InChI

InChI=1S/C31H33N7O/c1-3-4-16-27-32-30-25(37-20-10-6-9-17-28(37)39)14-11-15-26(30)38(27)24-19-18-23(22-12-7-5-8-13-22)29(21(24)2)31-33-35-36-34-31/h5,7-8,11-15,18-19H,3-4,6,9-10,16-17,20H2,1-2H3,(H,33,34,35,36)