4,7-dimethyl-3-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]chromen-2-one

Systemtic Name: 4,7-dimethyl-3-[3-oxidanylidene-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]chromen-2-one Openeye Name: 3-[3-(4-benzoylpiperazin-1-yl)-3-oxo-propyl]-4,7-dimethyl-chromen-2-one CAS Name: 3-[3-(4-benzoyl-1-piperazinyl)-3-oxopropyl]-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-4,7-dimethylchromen-2-one Traditional Name: 3-[3-(4-benzoylpiperazino)-3-keto-propyl]-4,7-dimethyl-coumarin Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O4/c1-17-8-9-20-18(2)21(25(30)31-22(20)16-17)10-11-23(28)26-12-14-27(15-13-26)24(29)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3