[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [3,5-bis[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-pyridyl)methanone CAS Name: [3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [3,5-bis[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]-(4-pyridyl)methanone Formula: C28H32N6O MolecularWeight: 468.59328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C(C)C)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C(C)C)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C28H32N6O/c1-19(2)23-9-5-21(6-10-23)17-30-27-32-28(31-18-22-7-11-24(12-8-22)20(3)4)34(33-27)26(35)25-13-15-29-16-14-25/h5-16,19-20H,17-18H2,1-4H3,(H2,30,31,32,33)