4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Openeye Name: 4-(7-chloro-1,3-benzodioxole-5-carbonyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one CAS Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-piperazinone IUPAC Name: 4-(7-chloro-1,3-benzodioxole-5-carbonyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one Traditional Name: 4-(7-chloropiperonyloyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3C(=O)C4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3C(=O)C4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C23H21ClN4O4/c1-13-19(14(2)28(26-13)16-6-4-3-5-7-16)20-22(29)25-8-9-27(20)23(30)15-10-17(24)21-18(11-15)31-12-32-21/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,25,29)