4-(4-chlorophenyl)-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline trihydrochloride

Systemtic Name: 4-(4-chlorophenyl)-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline trihydrochloride Openeye Name: 4-(4-chlorophenyl)-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline trihydrochloride CAS Name: 4-(4-chlorophenyl)-4-[3-(4-phenyl-1-piperazinyl)propyl]-3H-isoquinoline trihydrochloride IUPAC Name: 4-(4-chlorophenyl)-4-[3-(4-phenylpiperazin-1-yl)propyl]-3H-isoquinoline trihydrochloride Traditional Name: 4-(4-chlorophenyl)-4-[3-(4-phenylpiperazino)propyl]-3H-isoquinoline trihydrochloride Formula: C28H33Cl4N3 MolecularWeight: 553.39372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN3.3ClH/c29-25-13-11-24(12-14-25)28(22-30-21-23-7-4-5-10-27(23)28)15-6-16-31-17-19-32(20-18-31)26-8-2-1-3-9-26;;;/h1-5,7-14,21H,6,15-20,22H2;3*1H