4-(4-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phthalazin-1-one

Systemtic Name: 4-(4-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phthalazin-1-one Openeye Name: 4-(4-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phthalazin-1-one CAS Name: 4-(4-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1-phthalazinone IUPAC Name: 4-(4-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phthalazin-1-one Traditional Name: 4-(4-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phthalazin-1-one Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC2=C1SC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H18BrN3OS/c23-17-7-5-15(6-8-17)21-18-3-1-2-4-19(18)22(27)26(24-21)14-25-11-9-20-16(13-25)10-12-28-20/h1-8,10,12H,9,11,13-14H2