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

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3/c1-17(2)27(31)29-14-13-18-11-12-20(15-19(18)16-29)28-26(30)25-21-7-3-5-9-23(21)32-24-10-6-4-8-22(24)25/h3-12,15,17,25H,13-14,16H2,1-2H3,(H,28,30)