3-bromanyl-9-methoxy-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine

Systemtic Name: 3-bromanyl-9-methoxy-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine Openeye Name: 3-bromo-9-methoxy-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine CAS Name: 3-bromo-9-methoxy-6-(1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 3-bromo-9-methoxy-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine Traditional Name: 3-bromo-9-methoxy-6-piperazino-benzo[b][1,4]benzoxazepine Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=C(O2)C=CC(=C3)Br)N4CCNCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=C(O2)C=CC(=C3)Br)N4CCNCC4

InChI

InChI=1S/C18H18BrN3O2/c1-23-13-3-4-14-17(11-13)24-16-5-2-12(19)10-15(16)21-18(14)22-8-6-20-7-9-22/h2-5,10-11,20H,6-9H2,1H3