3-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline; ethanedioic acid

Systemtic Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline; ethanedioic acid Openeye Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridyl]-1-(4-ethylpiperazin-1-yl)isoquinoline; oxalic acid CAS Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-1-(4-ethyl-1-piperazinyl)isoquinoline; oxalic acid IUPAC Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline; oxalic acid Traditional Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridyl]-1-(4-ethylpiperazino)isoquinoline; oxalic acid Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O.C2H2O4/c1-2-28-11-13-29(14-12-28)25-22-6-4-3-5-20(22)17-24(27-25)21-7-8-23(26-18-21)19-9-15-30-16-10-19;3-1(4)2(5)6/h3-9,17-18H,2,10-16H2,1H3;(H,3,4)(H,5,6)