1-(2-cyanoethyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-1-methyl-urea

Systemtic Name: 1-(2-cyanoethyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-1-methyl-urea Openeye Name: 1-(2-cyanoethyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]-1-methyl-urea CAS Name: 1-(2-cyanoethyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-1-methylurea IUPAC Name: 1-(2-cyanoethyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-1-methylurea Traditional Name: 1-(2-cyanoethyl)-3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]-1-methyl-urea Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)NC1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(CCC#N)C(=O)N[C@H]1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H20N4O4/c1-20(6-2-5-18)17(23)19-12-9-16(22)21(11-12)13-3-4-14-15(10-13)25-8-7-24-14/h3-4,10,12H,2,6-9,11H2,1H3,(H,19,23)/t12-/m0/s1