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

Systemtic Name: 3-[3-(3-nitrophenyl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(3-nitrophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(3-nitrophenyl)-4-[oxo(1-piperidinyl)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(3-nitrophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(3-nitrophenyl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propionitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C18H19N5O3/c19-8-5-11-22-13-16(18(24)21-9-2-1-3-10-21)17(20-22)14-6-4-7-15(12-14)23(25)26/h4,6-7,12-13H,1-3,5,9-11H2