6-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethyl-chromen-2-one

Systemtic Name: 6-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethyl-chromen-2-one Openeye Name: 6-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethyl-chromen-2-one CAS Name: 6-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-7-methoxy-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 6-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethylchromen-2-one Traditional Name: 6-[3-[4-(4-chlorobenzyl)piperazino]propoxy]-7-methoxy-3,4-dimethyl-coumarin Formula: C26H31ClN2O4 MolecularWeight: 470.98834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)OC)C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)OC)C

InChI

InChI=1S/C26H31ClN2O4/c1-18-19(2)26(30)33-23-16-24(31-3)25(15-22(18)23)32-14-4-9-28-10-12-29(13-11-28)17-20-5-7-21(27)8-6-20/h5-8,15-16H,4,9-14,17H2,1-3H3