1-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]-N-methyl-N-[(2-methylthiazol-4-yl)methyl]methanamine CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]methanamine IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]amine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CS1)CN(C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O2S/c1-16-24-19(14-30-16)13-26(2)11-18-12-27(20-6-4-3-5-7-20)25-23(18)17-8-9-21-22(10-17)29-15-28-21/h3-10,12,14H,11,13,15H2,1-2H3