2-morpholin-4-yl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4/c27-21(22-13-16-14-23-25(15-16)17-4-2-1-3-5-17)19-12-18(26(28)29)6-7-20(19)24-8-10-30-11-9-24/h1-7,12,14-15H,8-11,13H2,(H,22,27)