3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H31N5O4/c1-19-26(20(2)32(29-19)21-8-4-3-5-9-21)28-25(33)12-13-30-14-16-31(17-15-30)27(34)24-18-35-22-10-6-7-11-23(22)36-24/h3-11,24H,12-18H2,1-2H3,(H,28,33)