4-(4-methylpiperidin-1-yl)-3-nitro-N-[(2S)-pentan-2-yl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[(2S)-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-methylbutyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[(2S)-pentan-2-yl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[(2S)-pentan-2-yl]benzamide Traditional Name: N-[(1S)-1-methylbutyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)NC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O3/c1-4-5-14(3)19-18(22)15-6-7-16(17(12-15)21(23)24)20-10-8-13(2)9-11-20/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,22)/t14-/m0/s1