3-chloranyl-N-(cyanomethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-(cyanomethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-(cyanomethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-(cyanomethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-(cyanomethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-(cyanomethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC#N)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC#N)C=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O2/c17-12-5-6-15-13(9-12)20(16(21)19-8-7-18)10-11-3-1-2-4-14(11)22-15/h1-6,9H,8,10H2,(H,19,21)