4-imidazol-1-yl-N-[3-[methyl(phenyl)amino]propyl]-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-[3-[methyl(phenyl)amino]propyl]-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-[3-(N-methylanilino)propyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[3-(N-methylanilino)propyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-[3-(N-methylanilino)propyl]-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[3-(N-methylanilino)propyl]-3-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c1-23(17-6-3-2-4-7-17)12-5-10-22-20(26)16-8-9-18(19(14-16)25(27)28)24-13-11-21-15-24/h2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,22,26)