4-[(3-bromanyl-4-methoxy-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-4-methoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-bromo-4-methoxy-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C30H29BrN4O3 MolecularWeight: 573.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OC)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C30H29BrN4O3/c1-19-26(29(36)34(32(19)3)22-12-8-6-9-13-22)28(21-16-17-25(38-5)24(31)18-21)27-20(2)33(4)35(30(27)37)23-14-10-7-11-15-23/h6-18,28H,1-5H3