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

Systemtic Name: 2-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]acetyl]amino]benzamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H31N5O3/c22-21(29)17-7-3-4-8-18(17)23-19(27)15-24-11-13-25(14-12-24)16-20(28)26-9-5-1-2-6-10-26/h3-4,7-8H,1-2,5-6,9-16H2,(H2,22,29)(H,23,27)