N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-2-morpholino-5-nitro-benzamide Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C23H25N5O4/c1-2-17-3-5-18(6-4-17)16-27-22(9-10-24-27)25-23(29)20-15-19(28(30)31)7-8-21(20)26-11-13-32-14-12-26/h3-10,15H,2,11-14,16H2,1H3,(H,25,29)