N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c1-15-21(16(2)26(24-15)18-8-4-3-5-9-18)23-22(28)17-10-11-19(20(14-17)27(29)30)25-12-6-7-13-25/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,23,28)