6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine-10-carbonitrile

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine-10-carbonitrile Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine-10-carbonitrile CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-10-benzo[b][1,4]benzoxazepinecarbonitrile IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine-10-carbonitrile Traditional Name: 6-(4-piperonylpiperazino)benzo[b][1,4]benzoxazepine-10-carbonitrile Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3/c27-15-19-4-3-5-20-25(19)33-22-7-2-1-6-21(22)28-26(20)30-12-10-29(11-13-30)16-18-8-9-23-24(14-18)32-17-31-23/h1-9,14H,10-13,16-17H2