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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3/c1-17-21(18(2)28(25-17)20-9-5-4-6-10-20)16-26(3)24(30)19-11-12-22(23(15-19)29(31)32)27-13-7-8-14-27/h4-6,9-12,15H,7-8,13-14,16H2,1-3H3