4-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]acetyl]amino]-N-methyl-benzamide Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N5O3/c1-23-22(30)18-6-8-19(9-7-18)24-20(28)16-25-12-14-26(15-13-25)17-21(29)27-10-4-2-3-5-11-27/h6-9H,2-5,10-17H2,1H3,(H,23,30)(H,24,28)