6-(4-hexylphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol hydrochloride

Systemtic Name: 6-(4-hexylphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol hydrochloride Openeye Name: 6-(4-hexylphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol hydrochloride CAS Name: 6-(4-hexylphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol hydrochloride IUPAC Name: 6-(4-hexylphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol hydrochloride Traditional Name: 6-(4-hexylphenyl)-3,4-dihydro-2H-pyrimid[1,2-b]isoindol-6-ol hydrochloride Formula: C23H29ClN2O MolecularWeight: 384.94216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCCN42)O.Cl

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCCN42)O.Cl

InChI

InChI=1S/C23H28N2O.ClH/c1-2-3-4-5-9-18-12-14-19(15-13-18)23(26)21-11-7-6-10-20(21)22-24-16-8-17-25(22)23;/h6-7,10-15,26H,2-5,8-9,16-17H2,1H3;1H