3,4-dimethyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]chromen-2-one hydrochloride

Systemtic Name: 3,4-dimethyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]chromen-2-one hydrochloride Openeye Name: 7-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]-3,4-dimethyl-chromen-2-one hydrochloride CAS Name: 3,4-dimethyl-7-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dimethylchromen-2-one hydrochloride Traditional Name: 7-[2-(4-benzylpiperazino)-2-keto-ethoxy]-3,4-dimethyl-coumarin hydrochloride Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C.Cl

InChI

InChI=1S/C24H26N2O4.ClH/c1-17-18(2)24(28)30-22-14-20(8-9-21(17)22)29-16-23(27)26-12-10-25(11-13-26)15-19-6-4-3-5-7-19;/h3-9,14H,10-13,15-16H2,1-2H3;1H