6-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-chloroanilino)-4-pyrimidinyl]-4-(3-pyridinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[2-(3-chloroanilino)pyrimidin-4-yl]-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one Formula: C24H18ClN5O2 MolecularWeight: 443.88502

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)CC5=CN=CC=C5

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)CC5=CN=CC=C5

InChI

InChI=1S/C24H18ClN5O2/c25-18-4-1-5-19(12-18)28-24-27-10-8-20(29-24)17-6-7-22-21(11-17)30(23(31)15-32-22)14-16-3-2-9-26-13-16/h1-13H,14-15H2,(H,27,28,29)