7-[[4-[4-(phenylmethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-[[4-[4-(phenylmethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-[[4-(4-benzylphenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-[[4-[4-(phenylmethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-[[4-(4-benzylphenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-[[4-(4-benzylphenyl)piperazino]methyl]coumarin Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2/c30-27-13-10-24-9-6-23(19-26(24)31-27)20-28-14-16-29(17-15-28)25-11-7-22(8-12-25)18-21-4-2-1-3-5-21/h1-13,19H,14-18,20H2