N-[[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methyl]cyclohexanamine

Systemtic Name: N-[[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methyl]cyclohexanamine Openeye Name: N-[[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methyl]cyclohexanamine CAS Name: N-[[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methyl]cyclohexanamine IUPAC Name: N-[[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methyl]cyclohexanamine Traditional Name: cyclohexyl-[4-[(5R)-3,5-diphenyl-2-pyrazolin-1-yl]benzyl]amine Formula: C28H31N3 MolecularWeight: 409.56584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2=CC=C(C=C2)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NCC2=CC=C(C=C2)N3[C@H](CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3/c1-4-10-23(11-5-1)27-20-28(24-12-6-2-7-13-24)31(30-27)26-18-16-22(17-19-26)21-29-25-14-8-3-9-15-25/h1-2,4-7,10-13,16-19,25,28-29H,3,8-9,14-15,20-21H2/t28-/m1/s1