6-[2-(phenylmethyl)piperazin-1-yl]isoquinoline

Systemtic Name: 6-[2-(phenylmethyl)piperazin-1-yl]isoquinoline Openeye Name: 6-(2-benzylpiperazin-1-yl)isoquinoline CAS Name: 6-[2-(phenylmethyl)-1-piperazinyl]isoquinoline IUPAC Name: 6-(2-benzylpiperazin-1-yl)isoquinoline Traditional Name: 6-(2-benzylpiperazino)isoquinoline Formula: C20H21N3 MolecularWeight: 303.40084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC=CC=C2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CN(C(CN1)CC2=CC=CC=C2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C20H21N3/c1-2-4-16(5-3-1)12-20-15-22-10-11-23(20)19-7-6-18-14-21-9-8-17(18)13-19/h1-9,13-14,20,22H,10-12,15H2