4-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-isopropyl-3-nitro-benzamide CAS Name: 4-[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[4-[2-(4-fluorophenyl)acetyl]piperazino]-N-isopropyl-3-nitro-benzamide Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN4O4/c1-15(2)24-22(29)17-5-8-19(20(14-17)27(30)31)25-9-11-26(12-10-25)21(28)13-16-3-6-18(23)7-4-16/h3-8,14-15H,9-13H2,1-2H3,(H,24,29)