[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-(1-piperidyl)methanone CAS Name: [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-(1-piperidinyl)methanone IUPAC Name: [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-piperidino-methanone Formula: C21H20BrN3O MolecularWeight: 410.307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3O/c22-17-11-9-16(10-12-17)20-19(21(26)24-13-5-2-6-14-24)15-25(23-20)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14H2