N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-5-tert-butyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-5-tert-butyl-1H-pyrazole-3-carboxamide Openeye Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-5-tert-butyl-1H-pyrazole-3-carboxamide CAS Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-5-tert-butyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-5-tert-butyl-1H-pyrazole-3-carboxamide Traditional Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-5-tert-butyl-1H-pyrazole-3-carboxamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=C1)C(C)(C)C)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=C1)C(C)(C)C)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N4O3/c1-12(5-6-13-7-8-15-16(9-13)26-11-25-15)20-23-18(24)14-10-17(22-21-14)19(2,3)4/h5-10H,11H2,1-4H3,(H,21,22)(H,23,24)/b6-5+,20-12+