2-[2-[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

Systemtic Name: 2-[2-[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one Openeye Name: 2-[2-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one CAS Name: 2-[2-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-4-pyrimidinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one IUPAC Name: 2-[2-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one Traditional Name: 2-[2-[3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-phenyl]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one Formula: C26H21BrCl2N4O3 MolecularWeight: 588.27994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC=CC(=N2)C3=CC4=C(N3)CCNC4=O)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC=CC(=N2)C3=CC4=C(N3)CCNC4=O)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H21BrCl2N4O3/c1-2-35-23-10-15(9-18(27)24(23)36-13-14-3-4-16(28)11-19(14)29)25-30-7-6-21(33-25)22-12-17-20(32-22)5-8-31-26(17)34/h3-4,6-7,9-12,32H,2,5,8,13H2,1H3,(H,31,34)