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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

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