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

Systemtic Name: 7-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-[(4-benzylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 7-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-[(4-benzylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 7-[(4-benzylpiperazino)methyl]coumarin Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H22N2O2/c24-21-9-8-19-7-6-18(14-20(19)25-21)16-23-12-10-22(11-13-23)15-17-4-2-1-3-5-17/h1-9,14H,10-13,15-16H2