methyl 4-[4-[2-[1-(2-methylpropyl)-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[2-[1-(2-methylpropyl)-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[2-(1-isobutyl-3-oxo-piperazin-2-yl)acetyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[2-[1-(2-methylpropyl)-3-oxo-2-piperazinyl]-1-oxoethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[2-(1-isobutyl-3-keto-piperazin-2-yl)acetyl]piperazino]benzoic acid methyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H32N4O4/c1-16(2)15-26-9-8-23-21(28)19(26)14-20(27)25-12-10-24(11-13-25)18-6-4-17(5-7-18)22(29)30-3/h4-7,16,19H,8-15H2,1-3H3,(H,23,28)