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

Systemtic Name: 5-chloranyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-chromen-4-one CAS Name: 5-chloro-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-chlorochromen-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-5-chloro-chromone Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)C4=C(O3)C=CC=C4Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)C4=C(O3)C=CC=C4Cl

InChI

InChI=1S/C21H21ClN2O2/c22-18-7-4-8-20-21(18)19(25)13-17(26-20)15-24-11-9-23(10-12-24)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2