N-cyclopropyl-4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitro-benzamide CAS Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitrobenzamide Traditional Name: N-cyclopropyl-4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-3-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C22H28N4O3/c1-4-15-5-7-16(8-6-15)21(25(2)3)14-23-19-12-9-17(13-20(19)26(28)29)22(27)24-18-10-11-18/h5-9,12-13,18,21,23H,4,10-11,14H2,1-3H3,(H,24,27)