3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(4-m-anisylpiperazino)propan-1-one Formula: C20H27BrN4O2 MolecularWeight: 435.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C)Br

InChI

InChI=1S/C20H27BrN4O2/c1-15-20(21)16(2)25(22-15)8-7-19(26)24-11-9-23(10-12-24)14-17-5-4-6-18(13-17)27-3/h4-6,13H,7-12,14H2,1-3H3