3-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one

Systemtic Name: 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one Openeye Name: 8-allyl-3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(2,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-8-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-8-prop-2-enylchromen-2-one Traditional Name: 8-allyl-3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]coumarin Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)CC=C)OC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)CC=C)OC3=O)C

InChI

InChI=1S/C25H26N2O3/c1-4-6-19-7-5-8-20-16-21(25(29)30-23(19)20)24(28)27-13-11-26(12-14-27)22-10-9-17(2)15-18(22)3/h4-5,7-10,15-16H,1,6,11-14H2,2-3H3