2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NC34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NC34C[C@@H]5C[C@H](C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C27H32N2O/c30-25(18-29-11-10-22-6-4-5-7-23(22)17-29)28-27-15-20-12-21(16-27)14-26(13-20,19-27)24-8-2-1-3-9-24/h1-9,20-21H,10-19H2,(H,28,30)/t20-,21+,26?,27?