3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C26H25N5O3S MolecularWeight: 487.5734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC5=C(C=C4)OCCCO5)C)C

InChI

InChI=1S/C26H25N5O3S/c1-16-13-17(2)28-26(27-16)35-20-8-6-19(7-9-20)29-25(32)21-15-31(3)30-24(21)18-5-10-22-23(14-18)34-12-4-11-33-22/h5-10,13-15H,4,11-12H2,1-3H3,(H,29,32)