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

Systemtic Name: 2-[3-azanyl-1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanylidene-propyl]-7-chloranyl-3-oxidanylidene-3a,7a-dihydro-1H-isoindole-1-carboxamide Openeye Name: 2-[3-amino-1-(3-ethoxy-4-methoxy-phenyl)-3-oxo-propyl]-7-chloro-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide CAS Name: 2-[3-amino-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]-7-chloro-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide IUPAC Name: 2-[3-amino-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]-7-chloro-3-oxo-3a,7a-dihydro-1H-isoindole-1-carboxamide Traditional Name: 2-[3-amino-1-(3-ethoxy-4-methoxy-phenyl)-3-keto-propyl]-7-chloro-3-keto-3a,7a-dihydro-1H-isoindole-1-carboxamide Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5/c1-3-30-16-9-11(7-8-15(16)29-2)14(10-17(23)26)25-19(20(24)27)18-12(21(25)28)5-4-6-13(18)22/h4-9,12,14,18-19H,3,10H2,1-2H3,(H2,23,26)(H2,24,27)