N-(2-morpholin-4-ylethyl)-4-nitro-3-(1-propan-2-ylpyrazol-4-yl)benzamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-nitro-3-(1-propan-2-ylpyrazol-4-yl)benzamide Openeye Name: 3-(1-isopropylpyrazol-4-yl)-N-(2-morpholinoethyl)-4-nitro-benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-nitro-3-(1-propan-2-yl-4-pyrazolyl)benzamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-nitro-3-(1-propan-2-ylpyrazol-4-yl)benzamide Traditional Name: 3-(1-isopropylpyrazol-4-yl)-N-(2-morpholinoethyl)-4-nitro-benzamide Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-14(2)23-13-16(12-21-23)17-11-15(3-4-18(17)24(26)27)19(25)20-5-6-22-7-9-28-10-8-22/h3-4,11-14H,5-10H2,1-2H3,(H,20,25)