4-[[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]methyl]benzamide

Systemtic Name: 4-[[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]methyl]benzamide Openeye Name: 4-[[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]methyl]benzamide CAS Name: 4-[[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]methyl]benzamide IUPAC Name: 4-[[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]methyl]benzamide Traditional Name: 4-[[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]methyl]benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-13-19(26(29)30)14(2)25(24-13)12-16-5-9-18(10-6-16)21(28)23-11-15-3-7-17(8-4-15)20(22)27/h3-10H,11-12H2,1-2H3,(H2,22,27)(H,23,28)