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

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H30N4O4/c1-2-34-27-30-25(20-3-8-23-24(12-20)36-16-35-23)32(31-27)22-6-4-21(5-7-22)29-26(33)28-13-17-9-18(14-28)11-19(10-17)15-28/h3-8,12,17-19H,2,9-11,13-16H2,1H3,(H,29,33)