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

Systemtic Name: 1-[2-butyl-3-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazol-5-yl]azepan-2-one Openeye Name: 1-[2-butyl-3-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-5-yl]azepan-2-one CAS Name: 1-[2-butyl-3-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-5-benzimidazolyl]-2-azepanone IUPAC Name: 1-[2-butyl-3-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-5-yl]azepan-2-one Traditional Name: 1-[2-butyl-3-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-5-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=C(C=C2)N6CCCCCC6=O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C=C(C=C2)N6CCCCCC6=O

InChI

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