6-[(3-bromophenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(3-bromophenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(3-bromophenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(3-bromophenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(3-bromophenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(3-bromophenyl)-piperazino-methyl]isoquinoline Formula: C20H20BrN3 MolecularWeight: 382.2969

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CN(CCN1)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)C=NC=C4

InChI

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