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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C27H24N2O3/c30-26(25-21-5-1-3-7-23(21)32-24-8-4-2-6-22(24)25)28-20-12-11-17-13-14-29(16-19(17)15-20)27(31)18-9-10-18/h1-8,11-12,15,18,25H,9-10,13-14,16H2,(H,28,30)