1-chloranyl-6,7-diethyl-8-propyl-4-(4-propylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine

Systemtic Name: 1-chloranyl-6,7-diethyl-8-propyl-4-(4-propylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine Openeye Name: 1-chloro-6,7-diethyl-8-propyl-4-(4-propylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine CAS Name: 1-chloro-6,7-diethyl-8-propyl-4-(4-propyl-1-piperazinyl)thieno[3,4-b][1,5]benzoxazepine IUPAC Name: 1-chloro-6,7-diethyl-8-propyl-4-(4-propylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine Traditional Name: 1-chloro-6,7-diethyl-8-propyl-4-(4-propylpiperazino)thieno[3,4-b][1,5]benzoxazepine Formula: C25H34ClN3OS MolecularWeight: 460.07496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C(=C1CC)CC)N=C(C3=CSC(=C3O2)Cl)N4CCN(CC4)CCC

Isomeric SMILES

CCCC1=CC2=C(C(=C1CC)CC)N=C(C3=CSC(=C3O2)Cl)N4CCN(CC4)CCC

InChI

InChI=1S/C25H34ClN3OS/c1-5-9-17-15-21-22(19(8-4)18(17)7-3)27-25(20-16-31-24(26)23(20)30-21)29-13-11-28(10-6-2)12-14-29/h15-16H,5-14H2,1-4H3