2-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[3-nitro-4-(1-piperidyl)benzoyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(3-nitro-4-piperidino-benzoyl)piperazino]acetamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c1-16(2)22-20(27)15-23-10-12-25(13-11-23)21(28)17-6-7-18(19(14-17)26(29)30)24-8-4-3-5-9-24/h6-7,14,16H,3-5,8-13,15H2,1-2H3,(H,22,27)