6-(4-chloranylbutyl)-9-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-(4-chloranylbutyl)-9-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-chlorobutyl)-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-(4-chlorobutyl)-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-chlorobutyl)-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-chlorobutyl)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)CCCCCl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)CCCCCl

InChI

InChI=1S/C18H18ClNO2/c1-21-13-9-10-14-15(6-4-5-11-19)20-16-7-2-3-8-17(16)22-18(14)12-13/h2-3,7-10,12H,4-6,11H2,1H3