3-[(8-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(8-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzenecarbonitrile Openeye Name: 3-[(8-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzonitrile CAS Name: 3-[(8-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzonitrile IUPAC Name: 3-[(8-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzonitrile Traditional Name: 3-[(8-methoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amino]benzonitrile Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=NC=NC(=C3NC2)NC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=NC=NC(=C3NC2)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H15N5O2/c1-25-15-5-6-16-13(8-15)10-21-17-18(22-11-23-19(17)26-16)24-14-4-2-3-12(7-14)9-20/h2-8,11,21H,10H2,1H3,(H,22,23,24)