7,9-dimethoxy-N-(phenylmethyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: 7,9-dimethoxy-N-(phenylmethyl)pyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-benzyl-7,9-dimethoxy-pyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: 7,9-dimethoxy-N-(phenylmethyl)-4-pyrimido[4,5-b][1,4]benzoxazepinamine IUPAC Name: N-benzyl-7,9-dimethoxypyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: benzyl-(7,9-dimethoxypyrimido[4,5-b][1,4]benzoxazepin-4-yl)amine Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=NC3=C(N=CN=C3OC2=C1)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C2C=NC3=C(N=CN=C3OC2=C1)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C20H18N4O3/c1-25-14-8-16(26-2)15-11-21-18-19(22-10-13-6-4-3-5-7-13)23-12-24-20(18)27-17(15)9-14/h3-9,11-12H,10H2,1-2H3,(H,22,23,24)