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

Systemtic Name: 6-bromanyl-8-ethoxy-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-6-bromo-8-ethoxy-chromen-2-one CAS Name: 6-bromo-8-ethoxy-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-6-bromo-8-ethoxychromen-2-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-6-bromo-8-ethoxy-coumarin Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O4/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