3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-[1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-4-yl]propan-1-one

Systemtic Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-[1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-4-yl]propan-1-one Openeye Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-[1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-4-yl]propan-1-one CAS Name: 3-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-[1-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-pyrazolyl]-1-propanone IUPAC Name: 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]propan-1-one Traditional Name: 3-[4-(3,4-dichlorophenyl)piperazino]-1-[1-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-4-yl]propan-1-one Formula: C23H26Cl2N6O MolecularWeight: 473.39814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C=N2)C(=O)CCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C=N2)C(=O)CCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl)C)C

InChI

InChI=1S/C23H26Cl2N6O/c1-15-12-16(2)28-23(27-15)31-17(3)19(14-26-31)22(32)6-7-29-8-10-30(11-9-29)18-4-5-20(24)21(25)13-18/h4-5,12-14H,6-11H2,1-3H3