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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(phenethylamino)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C35H39N3O2 MolecularWeight: 533.70306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

InChI

InChI=1S/C35H39N3O2/c39-33(36-14-12-24-6-2-1-3-7-24)31-19-30(10-11-32(31)38-15-13-28-8-4-5-9-29(28)23-38)37-34(40)35-20-25-16-26(21-35)18-27(17-25)22-35/h1-11,19,25-27H,12-18,20-23H2,(H,36,39)(H,37,40)