3-[3-(3-bromophenyl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(3-bromophenyl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3-bromophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3-bromophenyl)-4-[oxo(1-piperidinyl)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3-bromophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3-bromophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propionitrile Formula: C18H19BrN4O MolecularWeight: 387.27366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O/c19-15-7-4-6-14(12-15)17-16(13-23(21-17)11-5-8-20)18(24)22-9-2-1-3-10-22/h4,6-7,12-13H,1-3,5,9-11H2