1-chloranyl-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one

Systemtic Name: 1-chloranyl-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one Openeye Name: 1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one CAS Name: 1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one IUPAC Name: 1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one Traditional Name: 1-chloro-5,11-dihydropyrimido[4,5-c][2]benzazepin-6-one Formula: C12H8ClN3O MolecularWeight: 245.66442

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)NC3=C1C(=NC=N3)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)NC3=C1C(=NC=N3)Cl

InChI

InChI=1S/C12H8ClN3O/c13-10-9-5-7-3-1-2-4-8(7)12(17)16-11(9)15-6-14-10/h1-4,6H,5H2,(H,14,15,16,17)