N-(3-methylbutyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-methylbutyl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-isopentyl-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3-methylbutyl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-isoamyl-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC(C)C)[N+](=O)[O-]

InChI

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