6-[(2-bromophenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(2-bromophenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(2-bromophenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(2-bromophenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(2-bromophenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(2-bromophenyl)-piperazino-methyl]isoquinoline Formula: C20H20BrN3 MolecularWeight: 382.2969

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrN3/c21-19-4-2-1-3-18(19)20(24-11-9-22-10-12-24)16-5-6-17-14-23-8-7-15(17)13-16/h1-8,13-14,20,22H,9-12H2