N-(3-cyanophenyl)-4-(4-cyclopentylcarbonylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-cyanophenyl)-4-(4-cyclopentylcarbonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-cyanophenyl)-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(3-cyanophenyl)-4-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(3-cyanophenyl)-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(3-cyanophenyl)-4-[4-(cyclopentanecarbonyl)piperazino]-3-nitro-benzamide Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c25-16-17-4-3-7-20(14-17)26-23(30)19-8-9-21(22(15-19)29(32)33)27-10-12-28(13-11-27)24(31)18-5-1-2-6-18/h3-4,7-9,14-15,18H,1-2,5-6,10-13H2,(H,26,30)