6-piperazin-1-yl-8-(trifluoromethylsulfonyl)benzo[b][1,4]benzoxazepine

Systemtic Name: 6-piperazin-1-yl-8-(trifluoromethylsulfonyl)benzo[b][1,4]benzoxazepine Openeye Name: 6-piperazin-1-yl-8-(trifluoromethylsulfonyl)benzo[b][1,4]benzoxazepine CAS Name: 6-(1-piperazinyl)-8-(trifluoromethylsulfonyl)benzo[b][1,4]benzoxazepine IUPAC Name: 6-piperazin-1-yl-8-(trifluoromethylsulfonyl)benzo[b][1,4]benzoxazepine Traditional Name: 6-piperazino-8-triflyl-benzo[b][1,4]benzoxazepine Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c19-18(20,21)28(25,26)12-5-6-15-13(11-12)17(24-9-7-22-8-10-24)23-14-3-1-2-4-16(14)27-15/h1-6,11,22H,7-10H2