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

Systemtic Name: 6-bromanyl-8-ethoxy-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one hydrochloride Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-6-bromo-8-ethoxy-chromen-2-one hydrochloride CAS Name: 6-bromo-8-ethoxy-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-6-bromo-8-ethoxychromen-2-one hydrochloride Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-6-bromo-8-ethoxy-coumarin hydrochloride Formula: C23H24BrClN2O4 MolecularWeight: 507.80466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H23BrN2O4.ClH/c1-2-29-20-14-18(24)12-17-13-19(23(28)30-21(17)20)22(27)26-10-8-25(9-11-26)15-16-6-4-3-5-7-16;/h3-7,12-14H,2,8-11,15H2,1H3;1H