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

Systemtic Name: ethyl 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: ethyl 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-4-methyl-valeric acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-4-29-21(28)11-18(15(2)3)23-19(26)13-25-10-9-24(14-20(25)27)17-7-5-16(12-22)6-8-17/h5-8,15,18H,4,9-11,13-14H2,1-3H3,(H,23,26)