7-chloranyl-2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide

Systemtic Name: 7-chloranyl-2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 7-chloro-2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 7-chloro-2-[2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 7-chloro-2-[2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethyl]-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 7-chloro-2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(C3C(C2=O)C=CC=C3Cl)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(C3C(C2=O)C=CC=C3Cl)C(=O)N)OC

InChI

InChI=1S/C21H22ClN3O4/c1-3-29-17-11-12(7-8-16(17)28-2)15(9-10-23)25-19(20(24)26)18-13(21(25)27)5-4-6-14(18)22/h4-8,11,13,15,18-19H,3,9H2,1-2H3,(H2,24,26)