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

Systemtic Name: 6-bromanyl-8-ethoxy-3-[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-3-[4-[(Z)-cinnamyl]piperazine-1-carbonyl]-8-ethoxy-chromen-2-one CAS Name: 6-bromo-8-ethoxy-3-[oxo-[4-[(Z)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-8-ethoxy-3-[4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-3-[4-[(Z)-cinnamyl]piperazine-1-carbonyl]-8-ethoxy-coumarin Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O4/c1-2-31-22-17-20(26)15-19-16-21(25(30)32-23(19)22)24(29)28-13-11-27(12-14-28)10-6-9-18-7-4-3-5-8-18/h3-9,15-17H,2,10-14H2,1H3/b9-6-