N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H24N2O3/c1-2-24(29)28-14-13-17-11-12-19(15-18(17)16-28)27-26(30)25-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)25/h3-12,15,25H,2,13-14,16H2,1H3,(H,27,30)