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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]adamantane-1-carboxamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCC7=CC=CC=C7C6

InChI

InChI=1S/C30H35N3O2/c34-28(31-24-5-6-24)26-14-25(7-8-27(26)33-10-9-22-3-1-2-4-23(22)18-33)32-29(35)30-15-19-11-20(16-30)13-21(12-19)17-30/h1-4,7-8,14,19-21,24H,5-6,9-13,15-18H2,(H,31,34)(H,32,35)