4-[2-[1-[(4-bromanyl-2-ethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]piperidin-4-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[1-[(4-bromanyl-2-ethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]piperidin-4-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[1-[(4-bromo-2-ethyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]-4-piperidyl]ethoxy]benzonitrile CAS Name: 4-[2-[1-[(4-bromo-2-ethyl-5-oxo-1-phenyl-3-pyrazolyl)methyl]-4-piperidinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[1-[(4-bromo-2-ethyl-5-oxo-1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[1-[(4-bromo-2-ethyl-5-keto-1-phenyl-3-pyrazolin-3-yl)methyl]-4-piperidyl]ethoxy]benzonitrile Formula: C26H29BrN4O2 MolecularWeight: 509.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCOC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3CCC(CC3)CCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29BrN4O2/c1-2-30-24(25(27)26(32)31(30)22-6-4-3-5-7-22)19-29-15-12-20(13-16-29)14-17-33-23-10-8-21(18-28)9-11-23/h3-11,20H,2,12-17,19H2,1H3