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

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-(4-pyridylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(4-pyridylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)NC4=CC=NC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)NC4=CC=NC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN4O3/c22-15-5-6-19-17(11-15)26(13-14-3-1-2-4-18(14)29-19)21(28)24-12-20(27)25-16-7-9-23-10-8-16/h1-11H,12-13H2,(H,24,28)(H,23,25,27)