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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholinoethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-morpholinoethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H42N4O3 MolecularWeight: 542.71158

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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)NCCN7CCOCC7

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

InChI

InChI=1S/C33H42N4O3/c38-31(34-8-10-36-11-13-40-14-12-36)29-18-28(5-6-30(29)37-9-7-26-3-1-2-4-27(26)22-37)35-32(39)33-19-23-15-24(20-33)17-25(16-23)21-33/h1-6,18,23-25H,7-17,19-22H2,(H,34,38)(H,35,39)