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

Systemtic Name: 6-[2-[(3-ethanoylphenyl)amino]pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-acetylanilino)pyrimidin-4-yl]-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-acetylanilino)-4-pyrimidinyl]-4-(3-pyridinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-acetylanilino)pyrimidin-4-yl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[2-(3-acetylanilino)pyrimidin-4-yl]-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CN=CC=C5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC4=C(C=C3)OCC(=O)N4CC5=CN=CC=C5

InChI

InChI=1S/C26H21N5O3/c1-17(32)19-5-2-6-21(12-19)29-26-28-11-9-22(30-26)20-7-8-24-23(13-20)31(25(33)16-34-24)15-18-4-3-10-27-14-18/h2-14H,15-16H2,1H3,(H,28,29,30)