3-chloranyl-N-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-(4-pyridylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(4-pyridylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3/c23-17-5-6-20-18(11-17)27(14-16-3-1-2-4-19(16)30-20)22(29)26-13-21(28)25-12-15-7-9-24-10-8-15/h1-11H,12-14H2,(H,25,28)(H,26,29)