2-methoxy-7-[[4-(phenylmethyl)-1,2,3-triazol-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-methoxy-7-[[4-(phenylmethyl)-1,2,3-triazol-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzyltriazol-1-yl)methyl]-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one CAS Name: 2-methoxy-7-[[4-(phenylmethyl)-1-triazolyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzyltriazol-1-yl)methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzyltriazol-1-yl)methyl]-4-isopropyl-2-methoxy-cyclohepta-2,4,6-trien-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2C=C(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2C=C(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-15(2)17-9-10-18(21(25)20(12-17)26-3)13-24-14-19(22-23-24)11-16-7-5-4-6-8-16/h4-10,12,14-15H,11,13H2,1-3H3