N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]quinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenyl-3-pyrazolyl)methyl]-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2-phenylpyrazol-3-yl)methyl]quinoline-3-carboxamide Traditional Name: N-[(2-phenylpyrazol-3-yl)methyl]-N-piperonyl-quinoline-3-carboxamide Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=NN3C4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=NN3C4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C28H22N4O3/c33-28(22-15-21-6-4-5-9-25(21)29-16-22)31(17-20-10-11-26-27(14-20)35-19-34-26)18-24-12-13-30-32(24)23-7-2-1-3-8-23/h1-16H,17-19H2