6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)-1H-isoquinoline Openeye Name: 6,7-dimethoxy-3-methyl-1-(p-tolyl)-2-(1H-1,2,4-triazol-5-yl)-1H-isoquinoline CAS Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)-1H-isoquinoline Traditional Name: 6,7-dimethoxy-3-methyl-1-(p-tolyl)-2-(1H-1,2,4-triazol-5-yl)-1H-isoquinoline Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC(=C(C=C3C=C(N2C4=NC=NN4)C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC(=C(C=C3C=C(N2C4=NC=NN4)C)OC)OC

InChI

InChI=1S/C21H22N4O2/c1-13-5-7-15(8-6-13)20-17-11-19(27-4)18(26-3)10-16(17)9-14(2)25(20)21-22-12-23-24-21/h5-12,20H,1-4H3,(H,22,23,24)