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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]adamantane-1-carboxamide Formula: C30H39N3O MolecularWeight: 457.65016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O/c1-32(2)27-9-7-25(8-10-27)28(33-12-11-24-5-3-4-6-26(24)20-33)19-31-29(34)30-16-21-13-22(17-30)15-23(14-21)18-30/h3-10,21-23,28H,11-20H2,1-2H3,(H,31,34)