6,7,8-tributyl-4-(4-butylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine

Systemtic Name: 6,7,8-tributyl-4-(4-butylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine Openeye Name: 6,7,8-tributyl-4-(4-butylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine CAS Name: 6,7,8-tributyl-4-(4-butyl-1-piperazinyl)thieno[3,4-b][1,5]benzoxazepine IUPAC Name: 6,7,8-tributyl-4-(4-butylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine Traditional Name: 6,7,8-tributyl-4-(4-butylpiperazino)thieno[3,4-b][1,5]benzoxazepine Formula: C31H47N3OS MolecularWeight: 509.78938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1CCCC)CCCC)N=C(C3=CSC=C3O2)N4CCN(CC4)CCCC

Isomeric SMILES

CCCCC1=CC2=C(C(=C1CCCC)CCCC)N=C(C3=CSC=C3O2)N4CCN(CC4)CCCC

InChI

InChI=1S/C31H47N3OS/c1-5-9-13-24-21-28-30(26(15-11-7-3)25(24)14-10-6-2)32-31(27-22-36-23-29(27)35-28)34-19-17-33(18-20-34)16-12-8-4/h21-23H,5-20H2,1-4H3