7-bromanyl-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one

Systemtic Name: 7-bromanyl-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one Openeye Name: 7-bromo-4-(4-pyridylmethyl)-2H-phthalazin-1-one CAS Name: 7-bromo-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one IUPAC Name: 7-bromo-4-(pyridin-4-ylmethyl)-2H-phthalazin-1-one Traditional Name: 7-bromo-4-(4-pyridylmethyl)-2H-phthalazin-1-one Formula: C14H10BrN3O MolecularWeight: 316.1527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=O)NN=C2CC3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=O)NN=C2CC3=CC=NC=C3

InChI

InChI=1S/C14H10BrN3O/c15-10-1-2-11-12(8-10)14(19)18-17-13(11)7-9-3-5-16-6-4-9/h1-6,8H,7H2,(H,18,19)