N-cyclopropyl-4-imidazol-1-yl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-4-imidazol-1-yl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-imidazol-1-yl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitro-benzamide CAS Name: N-cyclopropyl-4-(1-imidazolyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-imidazol-1-yl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: N-cyclopropyl-4-imidazol-1-yl-N-[4-(methylcarbamoyl)benzyl]-3-nitro-benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c1-23-21(28)16-4-2-15(3-5-16)13-26(18-7-8-18)22(29)17-6-9-19(20(12-17)27(30)31)25-11-10-24-14-25/h2-6,9-12,14,18H,7-8,13H2,1H3,(H,23,28)