3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C24H21BrN4O MolecularWeight: 461.35374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O/c25-21-11-9-18(10-12-21)23-20(17-29(27-23)22-7-3-1-4-8-22)15-19(16-26)24(30)28-13-5-2-6-14-28/h1,3-4,7-12,15,17H,2,5-6,13-14H2