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

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=C(N=CC=C3)N(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=C(N=CC=C3)N(C)C

InChI

InChI=1S/C21H27N5O3/c1-15-8-11-25(12-9-15)19-7-6-17(26(28)29)13-18(19)21(27)23-14-16-5-4-10-22-20(16)24(2)3/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,23,27)