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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(phenylmethyl)isoquinoline Openeye Name: 3-benzyl-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(phenylmethyl)isoquinoline IUPAC Name: 3-benzyl-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-benzyl-1-(4-ethylpiperazino)isoquinoline Formula: C22H25N3 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3/c1-2-24-12-14-25(15-13-24)22-21-11-7-6-10-19(21)17-20(23-22)16-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3