4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline dihydrochloride

Systemtic Name: 4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline dihydrochloride Openeye Name: 4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline dihydrochloride CAS Name: 4-phenyl-4-[3-(4-phenyl-1-piperazinyl)propyl]-3H-isoquinoline dihydrochloride IUPAC Name: 4-phenyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline dihydrochloride Traditional Name: 4-phenyl-4-[3-(4-phenylpiperazino)propyl]-3H-isoquinoline dihydrochloride Formula: C28H33Cl2N3 MolecularWeight: 482.48772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2(CN=CC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC2(CN=CC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H31N3.2ClH/c1-3-11-25(12-4-1)28(23-29-22-24-10-7-8-15-27(24)28)16-9-17-30-18-20-31(21-19-30)26-13-5-2-6-14-26;;/h1-8,10-15,22H,9,16-21,23H2;2*1H