N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(2-oxolanylmethylamino)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofurfurylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

InChI

InChI=1S/C32H39N3O3/c36-30(33-19-27-6-3-11-38-27)28-15-26(7-8-29(28)35-10-9-24-4-1-2-5-25(24)20-35)34-31(37)32-16-21-12-22(17-32)14-23(13-21)18-32/h1-2,4-5,7-8,15,21-23,27H,3,6,9-14,16-20H2,(H,33,36)(H,34,37)