7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one hydrochloride

Systemtic Name: 7-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one hydrochloride Openeye Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one hydrochloride CAS Name: 7-[3-(1-azepanyl)-2-hydroxypropoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one hydrochloride IUPAC Name: 7-[3-(azepan-1-yl)-2-hydroxypropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one hydrochloride Traditional Name: 7-[3-(azepan-1-yl)-2-hydroxy-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O.Cl

Isomeric SMILES

C1CCCN(CC1)CC(COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O.Cl

InChI

InChI=1S/C21H27NO4.ClH/c23-15(13-22-10-3-1-2-4-11-22)14-25-16-8-9-18-17-6-5-7-19(17)21(24)26-20(18)12-16;/h8-9,12,15,23H,1-7,10-11,13-14H2;1H