N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1-imidazolyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-imidazol-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-homoveratryl-2-(2-imidazol-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H28N6O3 MolecularWeight: 484.54962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2C4=NC(=NC=C4)N5C=CN=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2C4=NC(=NC=C4)N5C=CN=C5)OC

InChI

InChI=1S/C27H28N6O3/c1-35-23-8-7-19(15-24(23)36-2)9-11-29-26(34)22-16-20-5-3-4-6-21(20)17-33(22)25-10-12-30-27(31-25)32-14-13-28-18-32/h3-8,10,12-15,18,22H,9,11,16-17H2,1-2H3,(H,29,34)