8-chloranyl-N-(phenylmethyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 8-chloranyl-N-(phenylmethyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-benzyl-8-chloro-pyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 8-chloro-N-(phenylmethyl)-4-pyrimido[4,5-b][1,4]benzoxazepinamine IUPAC Name: N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: benzyl-(8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C18H13ClN4O MolecularWeight: 336.77502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3

InChI

InChI=1S/C18H13ClN4O/c19-14-6-7-15-13(8-14)10-20-16-17(22-11-23-18(16)24-15)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,22,23)