[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-pyrrolidino-methanone Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c1-12-16(21(23)24)13(2)20(18-12)11-14-5-7-15(8-6-14)17(22)19-9-3-4-10-19/h5-8H,3-4,9-11H2,1-2H3