[5-azanyl-3-[(3-propan-2-yloxyphenyl)amino]-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone

Systemtic Name: [5-azanyl-3-[(3-propan-2-yloxyphenyl)amino]-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: [5-amino-3-(3-isopropoxyanilino)-1,2,4-triazol-1-yl]-(4-isopropoxyphenyl)methanone CAS Name: [5-amino-3-(3-propan-2-yloxyanilino)-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [5-amino-3-(3-propan-2-yloxyanilino)-1,2,4-triazol-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: [5-amino-3-(3-isopropoxyanilino)-1,2,4-triazol-1-yl]-(4-isopropoxyphenyl)methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)NC3=CC(=CC=C3)OC(C)C)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)NC3=CC(=CC=C3)OC(C)C)N

InChI

InChI=1S/C21H25N5O3/c1-13(2)28-17-10-8-15(9-11-17)19(27)26-20(22)24-21(25-26)23-16-6-5-7-18(12-16)29-14(3)4/h5-14H,1-4H3,(H3,22,23,24,25)