3-pyridin-4-ylpropyl 3-chloranyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylate

Systemtic Name: 3-pyridin-4-ylpropyl 3-chloranyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Openeye Name: 3-(4-pyridyl)propyl 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylate CAS Name: 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Traditional Name: 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid 3-(4-pyridyl)propyl ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)OCCCC4=CC=NC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)OCCCC4=CC=NC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O3/c23-18-7-8-21-19(14-18)25(15-17-5-1-2-6-20(17)28-21)22(26)27-13-3-4-16-9-11-24-12-10-16/h1-2,5-12,14H,3-4,13,15H2