6-methoxy-4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-methoxy-4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-methoxy-4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-methoxy-4-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-4-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-methoxy-4-[[4-(2-phenylbutanoyl)piperazino]methyl]coumarin Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OC

InChI

InChI=1S/C25H28N2O4/c1-3-21(18-7-5-4-6-8-18)25(29)27-13-11-26(12-14-27)17-19-15-24(28)31-23-10-9-20(30-2)16-22(19)23/h4-10,15-16,21H,3,11-14,17H2,1-2H3