6-[(4-bromophenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(4-bromophenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(4-bromophenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(4-bromophenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(4-bromophenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(4-bromophenyl)-piperazino-methyl]isoquinoline Formula: C20H20BrN3 MolecularWeight: 382.2969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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