3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride

Systemtic Name: 3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Openeye Name: 3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride CAS Name: 3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-(4-ethyl-1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride Traditional Name: 3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C26H30ClN3O MolecularWeight: 435.9889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O.ClH/c1-2-28-13-15-29(16-14-28)26-24-6-4-3-5-23(24)19-25(27-26)22-9-7-20(8-10-22)21-11-17-30-18-12-21;/h3-11,19H,2,12-18H2,1H3;1H