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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazino]-3-nitro-benzamide Formula: C24H28FN5O4 MolecularWeight: 469.508623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H28FN5O4/c25-18-4-1-16(2-5-18)24(32)29-13-11-28(12-14-29)21-10-3-17(15-22(21)30(33)34)23(31)27-20-8-6-19(26)7-9-20/h1-5,10,15,19-20H,6-9,11-14,26H2,(H,27,31)