4-[4-[3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxy-propoxy]phenyl]butan-2-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNCC(COC2=CC=C(C=C2)CCC(=O)C)O)C

Isomeric SMILES

CC1=CC(=NN1CCCNCC(COC2=CC=C(C=C2)CCC(=O)C)O)C

InChI

InChI=1S/C21H31N3O3/c1-16-13-17(2)24(23-16)12-4-11-22-14-20(26)15-27-21-9-7-19(8-10-21)6-5-18(3)25/h7-10,13,20,22,26H,4-6,11-12,14-15H2,1-3H3