ethyl 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-4,4-dimethyl-pentanoate

Systemtic Name: ethyl 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-4,4-dimethyl-pentanoate Openeye Name: ethyl 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-4,4-dimethyl-pentanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-4,4-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-4,4-dimethylpentanoate Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-4,4-dimethyl-valeric acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)(C)C)NC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CC(C(C)(C)C)NC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H30N4O4/c1-5-30-21(29)12-18(22(2,3)4)24-19(27)14-26-11-10-25(15-20(26)28)17-8-6-16(13-23)7-9-17/h6-9,18H,5,10-12,14-15H2,1-4H3,(H,24,27)