3-[5,5-bis(1-phenylmethoxyethoxy)cyclohexa-1,3-dien-1-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-[5,5-bis(1-phenylmethoxyethoxy)cyclohexa-1,3-dien-1-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-[5,5-bis(1-benzyloxyethoxy)cyclohexa-1,3-dien-1-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-[5,5-bis(1-phenylmethoxyethoxy)-1-cyclohexa-1,3-dienyl]-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-[5,5-bis(1-phenylmethoxyethoxy)cyclohexa-1,3-dien-1-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-[5,5-bis(1-benzoxyethoxy)cyclohexa-1,3-dien-1-yl]-1-(4-ethylpiperazino)isoquinoline Formula: C39H45N3O4 MolecularWeight: 619.7923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC(C4)(OC(C)OCC5=CC=CC=C5)OC(C)OCC6=CC=CC=C6

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC(C4)(OC(C)OCC5=CC=CC=C5)OC(C)OCC6=CC=CC=C6

InChI

InChI=1S/C39H45N3O4/c1-4-41-22-24-42(25-23-41)38-36-20-12-11-18-34(36)26-37(40-38)35-19-13-21-39(27-35,45-30(2)43-28-32-14-7-5-8-15-32)46-31(3)44-29-33-16-9-6-10-17-33/h5-21,26,30-31H,4,22-25,27-29H2,1-3H3