1-(4-ethylpiperazin-1-yl)-3-[4-(2-phenylmethoxyethyl)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-phenylmethoxyethyl)phenyl]isoquinoline Openeye Name: 3-[4-(2-benzyloxyethyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(2-phenylmethoxyethyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-phenylmethoxyethyl)phenyl]isoquinoline Traditional Name: 3-[4-(2-benzoxyethyl)phenyl]-1-(4-ethylpiperazino)isoquinoline Formula: C30H33N3O MolecularWeight: 451.60252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CCOCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CCOCC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O/c1-2-32-17-19-33(20-18-32)30-28-11-7-6-10-27(28)22-29(31-30)26-14-12-24(13-15-26)16-21-34-23-25-8-4-3-5-9-25/h3-15,22H,2,16-21,23H2,1H3