6-chloranyl-4-(pyridin-3-ylmethyl)-2H-phthalazin-1-one

Systemtic Name: 6-chloranyl-4-(pyridin-3-ylmethyl)-2H-phthalazin-1-one Openeye Name: 6-chloro-4-(3-pyridylmethyl)-2H-phthalazin-1-one CAS Name: 6-chloro-4-(3-pyridinylmethyl)-2H-phthalazin-1-one IUPAC Name: 6-chloro-4-(pyridin-3-ylmethyl)-2H-phthalazin-1-one Traditional Name: 6-chloro-4-(3-pyridylmethyl)-2H-phthalazin-1-one Formula: C14H10ClN3O MolecularWeight: 271.7017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=NNC(=O)C3=C2C=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CC2=NNC(=O)C3=C2C=C(C=C3)Cl

InChI

InChI=1S/C14H10ClN3O/c15-10-3-4-11-12(7-10)13(17-18-14(11)19)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2,(H,18,19)