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

Systemtic Name: 3-[[4-[3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[3-oxo-4-(3-pyridylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[3-oxo-4-(3-pyridinylmethyl)-1,4-benzoxazin-6-yl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[3-keto-4-(3-pyridylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C25H18N6O2 MolecularWeight: 434.44942

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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)C#N)CC5=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H18N6O2/c26-13-17-3-1-5-20(11-17)29-25-28-10-8-21(30-25)19-6-7-23-22(12-19)31(24(32)16-33-23)15-18-4-2-9-27-14-18/h1-12,14H,15-16H2,(H,28,29,30)