3-(4-bromophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-(4-bromophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-(4-bromophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-(4-bromophenyl)-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-(4-bromophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-(4-bromophenyl)-1-(4-ethylpiperazino)isoquinoline Formula: C21H22BrN3 MolecularWeight: 396.32348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3/c1-2-24-11-13-25(14-12-24)21-19-6-4-3-5-17(19)15-20(23-21)16-7-9-18(22)10-8-16/h3-10,15H,2,11-14H2,1H3