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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-morpholino-3-nitro-benzamide Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N5O4/c1-14-12-15(2)23(21-14)7-3-6-20-19(25)16-4-5-17(18(13-16)24(26)27)22-8-10-28-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,20,25)