3-phenylpropyl 2-[1-(2,2-dicyanoethenyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(2,2-dicyanoethenyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(2,2-dicyanovinyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(2,2-dicyanoethenyl)-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(2,2-dicyanoethenyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2,2-dicyanovinyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C=C(C#N)C#N

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C=C(C#N)C#N

InChI

InChI=1S/C19H20N4O3/c20-12-16(13-21)14-23-9-8-22-19(25)17(23)11-18(24)26-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,14,17H,4,7-11H2,(H,22,25)