1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-ylmethyl)phenyl]isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-ylmethyl)phenyl]isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(tetrahydropyran-4-ylmethyl)phenyl]isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(4-oxanylmethyl)phenyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(oxan-4-ylmethyl)phenyl]isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-[4-(tetrahydropyran-4-ylmethyl)phenyl]isoquinoline dihydrochloride Formula: C27H35Cl2N3O MolecularWeight: 488.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC5CCOCC5.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC5CCOCC5.Cl.Cl

InChI

InChI=1S/C27H33N3O.2ClH/c1-2-29-13-15-30(16-14-29)27-25-6-4-3-5-24(25)20-26(28-27)23-9-7-21(8-10-23)19-22-11-17-31-18-12-22;;/h3-10,20,22H,2,11-19H2,1H3;2*1H