N-(4-butan-2-ylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-(4-sec-butylphenyl)benzamide Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3/c1-4-17(3)18-5-8-20(9-6-18)24-23(27)19-7-10-21(22(15-19)26(28)29)25-13-11-16(2)12-14-25/h5-10,15-17H,4,11-14H2,1-3H3,(H,24,27)