[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidino-methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O3/c1-15-8-9-17(12-16(15)2)20-14-21(22(27)24-10-3-4-11-24)25(23-20)18-6-5-7-19(13-18)26(28)29/h5-9,12-14H,3-4,10-11H2,1-2H3