6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-piperonylpiperazino)benzo[b][1,4]benzoxazepine Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C25H23N3O3/c1-3-7-21-19(5-1)25(26-20-6-2-4-8-22(20)31-21)28-13-11-27(12-14-28)16-18-9-10-23-24(15-18)30-17-29-23/h1-10,15H,11-14,16-17H2