N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(3,5-dimethyl-1-pyrazolyl)propan-2-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC(C)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N5O3/c1-13-10-15(3)23(21-13)12-14(2)20-19(25)16-6-7-17(18(11-16)24(26)27)22-8-4-5-9-22/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3,(H,20,25)