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

Systemtic Name: N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-(4-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC(C)C

InChI

InChI=1S/C29H34N4O2/c1-18(2)35-28-31-26(23-6-4-19(3)5-7-23)33(32-28)25-10-8-24(9-11-25)30-27(34)29-15-20-12-21(16-29)14-22(13-20)17-29/h4-11,18,20-22H,12-17H2,1-3H3,(H,30,34)