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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(3-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(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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