6-[[4-chloranyl-3-(trifluoromethyl)phenyl]-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[[4-chloranyl-3-(trifluoromethyl)phenyl]-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[[4-chloro-3-(trifluoromethyl)phenyl]-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[[4-chloro-3-(trifluoromethyl)phenyl]-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[[4-chloro-3-(trifluoromethyl)phenyl]-piperazino-methyl]isoquinoline Formula: C21H19ClF3N3 MolecularWeight: 405.84387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3/c22-19-4-3-16(12-18(19)21(23,24)25)20(28-9-7-26-8-10-28)15-1-2-17-13-27-6-5-14(17)11-15/h1-6,11-13,20,26H,7-10H2