3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4,8-dimethyl-chromen-2-one

Systemtic Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4,8-dimethyl-chromen-2-one Openeye Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-7-methoxy-4,8-dimethyl-chromen-2-one CAS Name: 3-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-7-methoxy-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-7-methoxy-4,8-dimethylchromen-2-one Traditional Name: 3-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]-7-methoxy-4,8-dimethyl-coumarin Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=C(C4=C(C(=C(C=C4)OC)C)OC3=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=C(C4=C(C(=C(C=C4)OC)C)OC3=O)C)C

InChI

InChI=1S/C27H32N2O4/c1-17-7-6-8-23(18(17)2)28-13-15-29(16-14-28)25(30)12-10-22-19(3)21-9-11-24(32-5)20(4)26(21)33-27(22)31/h6-9,11H,10,12-16H2,1-5H3