2-butyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzoxazepine

Systemtic Name: 2-butyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzoxazepine Openeye Name: 2-butyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzoxazepine CAS Name: 2-butyl-4-(4-methyl-1-piperazinyl)thieno[2,3-b][1,5]benzoxazepine IUPAC Name: 2-butyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzoxazepine Traditional Name: 2-butyl-4-(4-methylpiperazino)thieno[2,3-b][1,5]benzoxazepine Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(S1)OC3=CC=CC=C3N=C2N4CCN(CC4)C

Isomeric SMILES

CCCCC1=CC2=C(S1)OC3=CC=CC=C3N=C2N4CCN(CC4)C

InChI

InChI=1S/C20H25N3OS/c1-3-4-7-15-14-16-19(23-12-10-22(2)11-13-23)21-17-8-5-6-9-18(17)24-20(16)25-15/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3