N'-(1,3-benzodioxol-5-ylcarbonyl)-2-[4-[(2S)-butan-2-yl]phenyl]quinoline-4-carbohydrazide

Systemtic Name: N'-(1,3-benzodioxol-5-ylcarbonyl)-2-[4-[(2S)-butan-2-yl]phenyl]quinoline-4-carbohydrazide Openeye Name: N'-(1,3-benzodioxole-5-carbonyl)-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carbohydrazide CAS Name: N'-[1,3-benzodioxol-5-yl(oxo)methyl]-2-[4-[(2S)-butan-2-yl]phenyl]-4-quinolinecarbohydrazide IUPAC Name: N'-(1,3-benzodioxole-5-carbonyl)-2-[4-[(2S)-butan-2-yl]phenyl]quinoline-4-carbohydrazide Traditional Name: 2-[4-[(1S)-1-methylpropyl]phenyl]-N'-piperonyloyl-cinchoninohydrazide Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H25N3O4/c1-3-17(2)18-8-10-19(11-9-18)24-15-22(21-6-4-5-7-23(21)29-24)28(33)31-30-27(32)20-12-13-25-26(14-20)35-16-34-25/h4-15,17H,3,16H2,1-2H3,(H,30,32)(H,31,33)/t17-/m0/s1