6,7-dimethoxy-N-[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 6,7-dimethoxy-N-[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 6,7-dimethoxy-N-[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C21H23N5O3/c1-13-5-4-6-15(9-13)19-22-20(25-24-19)23-21(27)26-8-7-14-10-17(28-2)18(29-3)11-16(14)12-26/h4-6,9-11H,7-8,12H2,1-3H3,(H2,22,23,24,25,27)