N-(3-cyanophenyl)-4-[4-(2-ethylbutanoyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(3-cyanophenyl)-4-[4-(2-ethylbutanoyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(3-cyanophenyl)-4-[4-(2-ethylbutanoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(3-cyanophenyl)-4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(3-cyanophenyl)-4-[4-(2-ethylbutanoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(3-cyanophenyl)-4-[4-(2-ethylbutanoyl)piperazino]-3-nitro-benzamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-3-18(4-2)24(31)28-12-10-27(11-13-28)21-9-8-19(15-22(21)29(32)33)23(30)26-20-7-5-6-17(14-20)16-25/h5-9,14-15,18H,3-4,10-13H2,1-2H3,(H,26,30)