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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N(C)C)[N+](=O)[O-]

InChI

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