4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-benzyl-piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-benzylpiperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-benzyl-piperazine-1-carboxamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3/c29-23(24-15-17-4-2-1-3-5-17)28-12-10-27(11-13-28)22-9-7-19(25-26-22)18-6-8-20-21(14-18)31-16-30-20/h1-9,14H,10-13,15-16H2,(H,24,29)