8-ethoxy-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one hydrochloride

Systemtic Name: 8-ethoxy-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one hydrochloride Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-8-ethoxy-chromen-2-one hydrochloride CAS Name: 8-ethoxy-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-8-ethoxychromen-2-one hydrochloride Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-8-ethoxy-coumarin hydrochloride Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H24N2O4.ClH/c1-2-28-20-10-6-9-18-15-19(23(27)29-21(18)20)22(26)25-13-11-24(12-14-25)16-17-7-4-3-5-8-17;/h3-10,15H,2,11-14,16H2,1H3;1H