4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-methyl-N-[[2-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-N-(2-pyrrolidinobenzyl)benzamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC3=CC=CC=C3N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N(C)CC3=CC=CC=C3N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O3/c1-18-24(30(32)33)19(2)29(26-18)16-20-10-12-21(13-11-20)25(31)27(3)17-22-8-4-5-9-23(22)28-14-6-7-15-28/h4-5,8-13H,6-7,14-17H2,1-3H3