1-[2-[3-(2-methylbutan-2-ylamino)-2-oxidanyl-propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[2-[3-(2-methylbutan-2-ylamino)-2-oxidanyl-propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one Openeye Name: 1-[2-[3-(1,1-dimethylpropylamino)-2-hydroxy-propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one CAS Name: 1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-(1-methyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one Traditional Name: 1-[2-[3-(tert-amylamino)-2-hydroxy-propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one Formula: C21H31N3O3 MolecularWeight: 373.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O

Isomeric SMILES

CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O

InChI

InChI=1S/C21H31N3O3/c1-5-21(2,3)22-13-17(25)15-27-20-9-7-6-8-18(20)19(26)11-10-16-12-23-24(4)14-16/h6-9,12,14,17,22,25H,5,10-11,13,15H2,1-4H3