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

Systemtic Name: 4,7-dimethyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]chromen-2-one Openeye Name: 4,7-dimethyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxo-propyl]chromen-2-one CAS Name: 4,7-dimethyl-3-[3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-oxopropyl]-1-benzopyran-2-one IUPAC Name: 4,7-dimethyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]chromen-2-one Traditional Name: 3-[3-(4-isobutyrylpiperazino)-3-keto-propyl]-4,7-dimethyl-coumarin Formula: C22H28N2O4 MolecularWeight: 384.46872

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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-14(2)21(26)24-11-9-23(10-12-24)20(25)8-7-18-16(4)17-6-5-15(3)13-19(17)28-22(18)27/h5-6,13-14H,7-12H2,1-4H3