3-chloranyl-5-[(2-pentyl-1,3-oxazol-4-yl)methyl]-6H-benzo[b][1,4]benzoxazepine

Systemtic Name: 3-chloranyl-5-[(2-pentyl-1,3-oxazol-4-yl)methyl]-6H-benzo[b][1,4]benzoxazepine Openeye Name: 3-chloro-5-[(2-pentyloxazol-4-yl)methyl]-6H-benzo[b][1,4]benzoxazepine CAS Name: 3-chloro-5-[(2-pentyl-4-oxazolyl)methyl]-6H-benzo[b][1,4]benzoxazepine IUPAC Name: 3-chloro-5-[(2-pentyl-1,3-oxazol-4-yl)methyl]-6H-benzo[b][1,4]benzoxazepine Traditional Name: 5-[(2-amyloxazol-4-yl)methyl]-3-chloro-6H-benzo[b][1,4]benzoxazepine Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=CO1)CN2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCCCCC1=NC(=CO1)CN2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O2/c1-2-3-4-9-22-24-18(15-26-22)14-25-13-16-7-5-6-8-20(16)27-21-11-10-17(23)12-19(21)25/h5-8,10-12,15H,2-4,9,13-14H2,1H3