[4-[(E)-[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]iminomethyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]iminomethyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]iminomethyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[4-(3-bromophenyl)-5-methyl-2-phenyl-3-pyrazolyl]iminomethyl]phenyl] ester IUPAC Name: [4-[(E)-[4-(3-bromophenyl)-5-methyl-2-phenylpyrazol-3-yl]iminomethyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[4-(3-bromophenyl)-5-methyl-2-phenyl-pyrazol-3-yl]iminomethyl]phenyl] ester Formula: C30H21Br2N3O2 MolecularWeight: 615.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC(=CC=C2)Br)N=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C2=CC(=CC=C2)Br)/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C30H21Br2N3O2/c1-20-28(22-7-5-9-24(31)17-22)29(35(34-20)26-11-3-2-4-12-26)33-19-21-13-15-27(16-14-21)37-30(36)23-8-6-10-25(32)18-23/h2-19H,1H3/b33-19+