4-(cyclopropylamino)-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[2-(dimethylamino)-4-pyridyl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[2-(dimethylamino)pyridin-4-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[[2-(dimethylamino)-4-pyridyl]methyl]-3-nitro-benzamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-22(2)17-9-12(7-8-19-17)11-20-18(24)13-3-6-15(21-14-4-5-14)16(10-13)23(25)26/h3,6-10,14,21H,4-5,11H2,1-2H3,(H,20,24)