3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[4-(diethylamino)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[4-(diethylamino)phenyl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(diethylamino)phenyl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(diethylamino)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(diethylamino)phenyl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[4-(diethylamino)phenyl]adamantane-1-carboxamide Formula: C23H30BrN5O MolecularWeight: 472.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C23H30BrN5O/c1-3-28(4-2)19-7-5-18(6-8-19)26-20(30)22-10-16-9-17(11-22)13-23(12-16,14-22)29-15-25-21(24)27-29/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,26,30)