N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]quinaldamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NC2=CC=CC=C2C=C1)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=O)C1=NC2=CC=CC=C2C=C1)/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O3/c1-14(6-7-15-8-11-19-20(12-15)27-13-26-19)23-24-21(25)18-10-9-16-4-2-3-5-17(16)22-18/h2-5,8-12H,6-7,13H2,1H3,(H,24,25)/b23-14+