1-[(3S,4R)-2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl]benzotriazole

Systemtic Name: 1-[(3S,4R)-2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl]benzotriazole Openeye Name: 1-[(3S,4R)-2,3-diphenyl-5-(3-pyridyl)-3,4-dihydropyrazol-4-yl]benzotriazole CAS Name: 1-[(3S,4R)-2,3-diphenyl-5-(3-pyridinyl)-3,4-dihydropyrazol-4-yl]benzotriazole IUPAC Name: 1-[(3S,4R)-2,3-diphenyl-5-pyridin-3-yl-3,4-dihydropyrazol-4-yl]benzotriazole Traditional Name: 1-[(4R,5S)-1,5-diphenyl-3-(3-pyridyl)-2-pyrazolin-4-yl]benzotriazole Formula: C26H20N6 MolecularWeight: 416.4772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=NN2C3=CC=CC=C3)C4=CN=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](C(=NN2C3=CC=CC=C3)C4=CN=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H20N6/c1-3-10-19(11-4-1)25-26(32-23-16-8-7-15-22(23)28-30-32)24(20-12-9-17-27-18-20)29-31(25)21-13-5-2-6-14-21/h1-18,25-26H/t25-,26-/m0/s1