4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C31H29BrN4O4 MolecularWeight: 601.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OCC=C)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)OCC=C)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C31H29BrN4O4/c1-5-16-40-29-24(32)17-21(18-25(29)39-4)28(26-19(2)33-35(30(26)37)22-12-8-6-9-13-22)27-20(3)34-36(31(27)38)23-14-10-7-11-15-23/h5-15,17-18,28,33-34H,1,16H2,2-4H3