N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]acetamide Formula: C28H29N5O2 MolecularWeight: 467.56216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C28H29N5O2/c34-27(30-14-6-15-32-16-12-22-8-1-2-9-23(22)19-32)20-33-28(35)25-11-4-3-10-24(25)26(31-33)17-21-7-5-13-29-18-21/h1-5,7-11,13,18H,6,12,14-17,19-20H2,(H,30,34)