4-tert-butyl-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide

Systemtic Name: 4-tert-butyl-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 4-tert-butyl-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 4-tert-butyl-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 4-tert-butyl-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 4-tert-butyl-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)16-6-4-15(5-7-16)20(26)23-17-8-9-18(19(14-17)25(27)28)24-12-10-22-11-13-24/h4-9,14,22H,10-13H2,1-3H3,(H,23,26)