4-imidazol-1-yl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-(2-methyl-4-pyrrolidino-phenyl)-3-nitro-benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-15-12-17(24-9-2-3-10-24)5-6-18(15)23-21(27)16-4-7-19(20(13-16)26(28)29)25-11-8-22-14-25/h4-8,11-14H,2-3,9-10H2,1H3,(H,23,27)