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

Systemtic Name: 3-chloranyl-N-(pyridin-3-ylmethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-(3-pyridylmethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-(3-pyridinylmethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-(pyridin-3-ylmethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-(3-pyridylmethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC4=CN=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC4=CN=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O2/c21-16-7-8-19-17(10-16)24(13-15-5-1-2-6-18(15)26-19)20(25)23-12-14-4-3-9-22-11-14/h1-11H,12-13H2,(H,23,25)