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

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-nitro-benzamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c26-20-8-10-21(11-9-20)27-24(31)19-7-12-22(23(17-19)30(33)34)28-13-4-14-29(16-15-28)25(32)18-5-2-1-3-6-18/h1-3,5-7,12,17,20-21H,4,8-11,13-16,26H2,(H,27,31)