N-[6-(dimethylamino)pyridin-3-yl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[6-(dimethylamino)-3-pyridyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[6-(dimethylamino)pyridin-3-yl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[6-(dimethylamino)-3-pyridyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CN=C(C=C3)N(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CN=C(C=C3)N(C)C

InChI

InChI=1S/C20H25N5O3/c1-14-8-10-24(11-9-14)18-6-5-16(25(27)28)12-17(18)20(26)22-15-4-7-19(21-13-15)23(2)3/h4-7,12-14H,8-11H2,1-3H3,(H,22,26)