1-tert-butyl-6-methoxy-3-(1,2,4-triazol-1-yl)isoquinoline

Systemtic Name: 1-tert-butyl-6-methoxy-3-(1,2,4-triazol-1-yl)isoquinoline Openeye Name: 1-tert-butyl-6-methoxy-3-(1,2,4-triazol-1-yl)isoquinoline CAS Name: 1-tert-butyl-6-methoxy-3-(1,2,4-triazol-1-yl)isoquinoline IUPAC Name: 1-tert-butyl-6-methoxy-3-(1,2,4-triazol-1-yl)isoquinoline Traditional Name: 1-tert-butyl-6-methoxy-3-(1,2,4-triazol-1-yl)isoquinoline Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC(=CC2=CC(=N1)N3C=NC=N3)OC

Isomeric SMILES

CC(C)(C)C1=C2C=CC(=CC2=CC(=N1)N3C=NC=N3)OC

InChI

InChI=1S/C16H18N4O/c1-16(2,3)15-13-6-5-12(21-4)7-11(13)8-14(19-15)20-10-17-9-18-20/h5-10H,1-4H3