3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]benzamide Openeye Name: 4-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 3-nitro-4-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]benzamide IUPAC Name: 3-nitro-4-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]benzamide Traditional Name: 4-(4-cumoylpiperazino)-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-14(2)15-3-5-16(6-4-15)21(27)24-11-9-23(10-12-24)18-8-7-17(20(22)26)13-19(18)25(28)29/h3-8,13-14H,9-12H2,1-2H3,(H2,22,26)