4-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]-7-ethyl-coumarin Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O2/c1-5-19-11-12-22-20(14-25(29)30-24(22)13-19)15-27(4)16-23-17(2)26-28(18(23)3)21-9-7-6-8-10-21/h6-14H,5,15-16H2,1-4H3