1-[2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-bis(oxidanylidene)isoindol-5-yl]urea

Systemtic Name: 1-[2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-bis(oxidanylidene)isoindol-5-yl]urea Openeye Name: [2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-dioxo-isoindolin-5-yl]urea CAS Name: [2-[2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethyl]-1,3-dioxo-5-isoindolyl]urea IUPAC Name: [2-[2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethyl]-1,3-dioxoisoindol-5-yl]urea Traditional Name: [2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-diketo-isoindolin-5-yl]urea Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)N)OC

InChI

InChI=1S/C21H20N4O5/c1-3-30-18-10-12(4-7-17(18)29-2)16(8-9-22)25-19(26)14-6-5-13(24-21(23)28)11-15(14)20(25)27/h4-7,10-11,16H,3,8H2,1-2H3,(H3,23,24,28)