1-cyclohexyl-3-heptyl-1-methyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]urea

Systemtic Name: 1-cyclohexyl-3-heptyl-1-methyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]urea Openeye Name: 1-cyclohexyl-3-heptyl-1-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea CAS Name: 1-cyclohexyl-3-heptyl-1-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea IUPAC Name: 1-cyclohexyl-3-heptyl-1-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea Traditional Name: 1-cyclohexyl-3-heptyl-1-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea Formula: C28H38N6O MolecularWeight: 474.64092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)N(C)C4CCCCC4

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)N(C)C4CCCCC4

InChI

InChI=1S/C28H38N6O/c1-3-4-5-6-12-21-34(28(35)33(2)23-13-8-7-9-14-23)24-19-17-22(18-20-24)25-15-10-11-16-26(25)27-29-31-32-30-27/h10-11,15-20,23H,3-9,12-14,21H2,1-2H3,(H,29,30,31,32)