2-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]acetyl]amino]benzamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C22H27N5O3/c1-16-6-8-17(9-7-16)24-20(28)14-26-10-12-27(13-11-26)15-21(29)25-19-5-3-2-4-18(19)22(23)30/h2-9H,10-15H2,1H3,(H2,23,30)(H,24,28)(H,25,29)