N-(4-azanylcyclohexyl)-4-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C25H30FN5O4 MolecularWeight: 483.535203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C25H30FN5O4/c26-19-5-2-17(3-6-19)25(33)30-13-1-12-29(14-15-30)22-11-4-18(16-23(22)31(34)35)24(32)28-21-9-7-20(27)8-10-21/h2-6,11,16,20-21H,1,7-10,12-15,27H2,(H,28,32)