ethyl 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-5-phenyl-pentanoate

Systemtic Name: ethyl 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-5-phenyl-pentanoate Openeye Name: ethyl 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-5-phenyl-pentanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-5-phenylpentanoate Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-5-phenyl-valeric acid ethyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCC1=CC=CC=C1)NC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CC(CCC1=CC=CC=C1)NC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H30N4O4/c1-2-34-26(33)16-22(11-8-20-6-4-3-5-7-20)28-24(31)18-30-15-14-29(19-25(30)32)23-12-9-21(17-27)10-13-23/h3-7,9-10,12-13,22H,2,8,11,14-16,18-19H2,1H3,(H,28,31)