N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)-3-nitro-benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C24H35N5O4/c25-19-7-9-20(10-8-19)26-23(30)18-6-11-21(22(16-18)29(32)33)27-12-3-13-28(15-14-27)24(31)17-4-1-2-5-17/h6,11,16-17,19-20H,1-5,7-10,12-15,25H2,(H,26,30)