2-[1-(2-bromophenyl)carbonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one

Systemtic Name: 2-[1-(2-bromophenyl)carbonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one Openeye Name: 2-[1-(2-bromobenzoyl)-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one CAS Name: 2-[1-[(2-bromophenyl)-oxomethyl]-4-piperidinyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3-pyrazolone IUPAC Name: 2-[1-(2-bromobenzoyl)piperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one Traditional Name: 2-[1-(2-bromobenzoyl)-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C25H28BrN3O4 MolecularWeight: 514.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC=CC=C3Br)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC=CC=C3Br)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H28BrN3O4/c1-25(2)22(16-9-10-20(32-3)21(15-16)33-4)27-29(24(25)31)17-11-13-28(14-12-17)23(30)18-7-5-6-8-19(18)26/h5-10,15,17H,11-14H2,1-4H3