N-butyl-2-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-anilino-3-nitro-benzoyl)piperazin-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-N-butylacetamide IUPAC Name: 2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-butylacetamide Traditional Name: 2-[4-(4-anilino-3-nitro-benzoyl)piperazino]-N-butyl-acetamide Formula: C23H29N5O4 MolecularWeight: 439.50746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-2-3-11-24-22(29)17-26-12-14-27(15-13-26)23(30)18-9-10-20(21(16-18)28(31)32)25-19-7-5-4-6-8-19/h4-10,16,25H,2-3,11-15,17H2,1H3,(H,24,29)