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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methoxypropylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C31H39N3O3 MolecularWeight: 501.65966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39N3O3/c1-37-12-4-10-32-29(35)27-16-26(7-8-28(27)34-11-9-24-5-2-3-6-25(24)20-34)33-30(36)31-17-21-13-22(18-31)15-23(14-21)19-31/h2-3,5-8,16,21-23H,4,9-15,17-20H2,1H3,(H,32,35)(H,33,36)