4-methyl-6-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butoxy]chromen-2-one hydrochloride

Systemtic Name: 4-methyl-6-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butoxy]chromen-2-one hydrochloride Openeye Name: 6-[4-(4-benzylpiperazin-1-yl)-4-oxo-butoxy]-4-methyl-chromen-2-one hydrochloride CAS Name: 4-methyl-6-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butoxy]-1-benzopyran-2-one hydrochloride IUPAC Name: 6-[4-(4-benzylpiperazin-1-yl)-4-oxobutoxy]-4-methylchromen-2-one hydrochloride Traditional Name: 6-[4-(4-benzylpiperazino)-4-keto-butoxy]-4-methyl-coumarin hydrochloride Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4.ClH/c1-19-16-25(29)31-23-10-9-21(17-22(19)23)30-15-5-8-24(28)27-13-11-26(12-14-27)18-20-6-3-2-4-7-20;/h2-4,6-7,9-10,16-17H,5,8,11-15,18H2,1H3;1H