N-[4-[5-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[5-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[5-(3,4-dimethoxyphenyl)-1-triazolyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C27H30N4O3/c1-33-24-8-3-20(12-25(24)34-2)23-16-28-30-31(23)22-6-4-21(5-7-22)29-26(32)27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,16-19H,9-11,13-15H2,1-2H3,(H,29,32)