3-[4-(phenylmethyl)piperazin-1-yl]carbonylchromen-2-one hydrochloride

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonylchromen-2-one hydrochloride Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)chromen-2-one hydrochloride CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)chromen-2-one hydrochloride Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)coumarin hydrochloride Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O.Cl

InChI

InChI=1S/C21H20N2O3.ClH/c24-20(18-14-17-8-4-5-9-19(17)26-21(18)25)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2;1H