N-[(2S)-1-(3,4-dimethoxyphenyl)-3-oxidanyl-propan-2-yl]-2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)pyridine-4-carboxamide

Systemtic Name: N-[(2S)-1-(3,4-dimethoxyphenyl)-3-oxidanyl-propan-2-yl]-2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)pyridine-4-carboxamide Openeye Name: N-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-ethyl]-2-[1-oxo-4-(3-pyridyl)phthalazin-2-yl]pyridine-4-carboxamide CAS Name: N-[(2S)-1-(3,4-dimethoxyphenyl)-3-hydroxypropan-2-yl]-2-[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]-4-pyridinecarboxamide IUPAC Name: N-[(2S)-1-(3,4-dimethoxyphenyl)-3-hydroxypropan-2-yl]-2-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)pyridine-4-carboxamide Traditional Name: N-[(1S)-2-(3,4-dimethoxyphenyl)-1-methylol-ethyl]-2-[1-keto-4-(3-pyridyl)phthalazin-2-yl]isonicotinamide Formula: C30H27N5O5 MolecularWeight: 537.56588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(CO)NC(=O)C2=CC(=NC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](CO)NC(=O)C2=CC(=NC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C5=CN=CC=C5)OC

InChI

InChI=1S/C30H27N5O5/c1-39-25-10-9-19(15-26(25)40-2)14-22(18-36)33-29(37)20-11-13-32-27(16-20)35-30(38)24-8-4-3-7-23(24)28(34-35)21-6-5-12-31-17-21/h3-13,15-17,22,36H,14,18H2,1-2H3,(H,33,37)/t22-/m0/s1