2-[4-(isoquinolin-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(isoquinolin-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-(5-isoquinolylmethyl)-1-(3-thienylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-(5-isoquinolinylmethyl)-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-(isoquinolin-5-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Traditional Name: 2-[4-(5-isoquinolylmethyl)-1-(3-thenyl)piperazin-2-yl]ethanol Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H25N3OS/c25-10-5-20-15-23(8-9-24(20)13-17-6-11-26-16-17)14-19-3-1-2-18-12-22-7-4-21(18)19/h1-4,6-7,11-12,16,20,25H,5,8-10,13-15H2