1-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]methyl]benzo[f]chromen-3-one Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O2/c1-18-24(19(2)30(28-18)22-10-5-4-6-11-22)17-29(3)16-21-15-26(31)32-25-14-13-20-9-7-8-12-23(20)27(21)25/h4-15H,16-17H2,1-3H3