7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methyl-chromen-2-one

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methyl-chromen-2-one Openeye Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methyl-chromen-2-one CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3-(hydroxymethyl)-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methylchromen-2-one Traditional Name: 7-[3-[4-(4-chlorobenzyl)piperazino]propoxy]-4-methyl-3-methylol-coumarin Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)CO

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)CO

InChI

InChI=1S/C25H29ClN2O4/c1-18-22-8-7-21(15-24(22)32-25(30)23(18)17-29)31-14-2-9-27-10-12-28(13-11-27)16-19-3-5-20(26)6-4-19/h3-8,15,29H,2,9-14,16-17H2,1H3