3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-[3,4-bis(2-benzyloxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-[3,4-bis(2-phenylmethoxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-[3,4-bis(2-benzoxyethoxy)phenyl]-1-(4-ethylpiperazino)isoquinoline Formula: C39H43N3O4 MolecularWeight: 617.77642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCOCC5=CC=CC=C5)OCCOCC6=CC=CC=C6

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCOCC5=CC=CC=C5)OCCOCC6=CC=CC=C6

InChI

InChI=1S/C39H43N3O4/c1-2-41-19-21-42(22-20-41)39-35-16-10-9-15-33(35)27-36(40-39)34-17-18-37(45-25-23-43-29-31-11-5-3-6-12-31)38(28-34)46-26-24-44-30-32-13-7-4-8-14-32/h3-18,27-28H,2,19-26,29-30H2,1H3