4-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]amino]-6-ethenyl-chromen-2-one

Systemtic Name: 4-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]amino]-6-ethenyl-chromen-2-one Openeye Name: 4-[[1-[(3,4-dimethylphenyl)methyl]-4-piperidyl]amino]-6-vinyl-chromen-2-one CAS Name: 4-[[1-[(3,4-dimethylphenyl)methyl]-4-piperidinyl]amino]-6-ethenyl-1-benzopyran-2-one IUPAC Name: 4-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]amino]-6-ethenylchromen-2-one Traditional Name: 4-[[1-(3,4-dimethylbenzyl)-4-piperidyl]amino]-6-vinyl-coumarin Formula: C25H28N2O2 MolecularWeight: 388.50202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCC(CC2)NC3=CC(=O)OC4=C3C=C(C=C4)C=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCC(CC2)NC3=CC(=O)OC4=C3C=C(C=C4)C=C)C

InChI

InChI=1S/C25H28N2O2/c1-4-19-7-8-24-22(14-19)23(15-25(28)29-24)26-21-9-11-27(12-10-21)16-20-6-5-17(2)18(3)13-20/h4-8,13-15,21,26H,1,9-12,16H2,2-3H3