4-[[4-[(3R)-1-(2-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3R)-1-(2-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3R)-1-(2-ethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(3R)-1-(2-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3R)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3R)-5-keto-1-o-phenetyl-pyrrolidine-3-carbonyl]piperazino]methyl]benzonitrile Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H28N4O3/c1-2-32-23-6-4-3-5-22(23)29-18-21(15-24(29)30)25(31)28-13-11-27(12-14-28)17-20-9-7-19(16-26)8-10-20/h3-10,21H,2,11-15,17-18H2,1H3/t21-/m1/s1