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

Systemtic Name: ethyl 4-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C23H34N4O4 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O4/c1-2-31-23(30)19-7-9-20(10-8-19)24-21(28)17-25-13-15-26(16-14-25)18-22(29)27-11-5-3-4-6-12-27/h7-10H,2-6,11-18H2,1H3,(H,24,28)