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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylpropylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isobutylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpropylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylpropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isobutylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C31H39N3O2/c1-20(2)18-32-29(35)27-14-26(7-8-28(27)34-10-9-24-5-3-4-6-25(24)19-34)33-30(36)31-15-21-11-22(16-31)13-23(12-21)17-31/h3-8,14,20-23H,9-13,15-19H2,1-2H3,(H,32,35)(H,33,36)