4-morpholin-4-yl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 4-morpholino-3-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)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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