(Z)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (Z)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (Z)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (Z)-3-[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (Z)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (Z)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-piperidino-prop-2-en-1-one Formula: C23H22BrN3O MolecularWeight: 436.34428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O/c24-20-9-7-8-18(16-20)23-19(12-13-22(28)26-14-5-2-6-15-26)17-27(25-23)21-10-3-1-4-11-21/h1,3-4,7-13,16-17H,2,5-6,14-15H2/b13-12-