7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-4-methyl-chromen-2-one hydrochloride

Systemtic Name: 7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-4-methyl-chromen-2-one hydrochloride Openeye Name: 7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-4-methyl-chromen-2-one hydrochloride CAS Name: 7-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]propoxy]-4-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one hydrochloride Traditional Name: 7-[3-[4-(2,3-dimethylphenyl)piperazino]propoxy]-4-methyl-coumarin hydrochloride Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C)C.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C)C.Cl

InChI

InChI=1S/C25H30N2O3.ClH/c1-18-6-4-7-23(20(18)3)27-13-11-26(12-14-27)10-5-15-29-21-8-9-22-19(2)16-25(28)30-24(22)17-21;/h4,6-9,16-17H,5,10-15H2,1-3H3;1H