N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1H-isoquinoline-3-carboxamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1H-isoquinoline-3-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1H-isoquinoline-3-carboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1H-isoquinoline-3-carboxamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1H-isoquinoline-3-carboxamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC4=CC=CC=C4C=C3C(=O)NC(C)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC4=CC=CC=C4C=C3C(=O)NC(C)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H26N6O3/c1-18-13-26(32-28(30-18)33-10-9-29-17-33)34-16-22-6-4-3-5-21(22)14-23(34)27(35)31-19(2)20-7-8-24-25(15-20)37-12-11-36-24/h3-10,13-15,17,19H,11-12,16H2,1-2H3,(H,31,35)