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

Systemtic Name: 2-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(4-anilino-3-nitro-benzoyl)piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-(4-anilino-3-nitro-benzoyl)piperazino]-N-propyl-acetamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-2-10-23-21(28)16-25-11-13-26(14-12-25)22(29)17-8-9-19(20(15-17)27(30)31)24-18-6-4-3-5-7-18/h3-9,15,24H,2,10-14,16H2,1H3,(H,23,28)