N-cyclopropyl-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-cyclopropyl-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-cyclopropyl-4-[4-(4-fluorobenzoyl)piperazino]-3-nitro-benzamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O4/c22-16-4-1-14(2-5-16)21(28)25-11-9-24(10-12-25)18-8-3-15(13-19(18)26(29)30)20(27)23-17-6-7-17/h1-5,8,13,17H,6-7,9-12H2,(H,23,27)