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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-(4-sec-butylphenyl)benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-4-16(2)17-5-8-19(9-6-17)23-22(27)18-7-10-20(21(15-18)26(28)29)25-13-11-24(3)12-14-25/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,27)