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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridylmethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H36N4O2 MolecularWeight: 520.66454

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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)NCC7=CN=CC=C7

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCC7=CN=CC=C7

InChI

InChI=1S/C33H36N4O2/c38-31(35-20-22-4-3-10-34-19-22)29-15-28(7-8-30(29)37-11-9-26-5-1-2-6-27(26)21-37)36-32(39)33-16-23-12-24(17-33)14-25(13-23)18-33/h1-8,10,15,19,23-25H,9,11-14,16-18,20-21H2,(H,35,38)(H,36,39)