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

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(4-ureidophenyl)methyl]benzamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(4-ureidobenzyl)benzamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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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)NC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c1-13-19(27(30)31)14(2)26(25-13)12-16-3-7-17(8-4-16)20(28)23-11-15-5-9-18(10-6-15)24-21(22)29/h3-10H,11-12H2,1-2H3,(H,23,28)(H3,22,24,29)