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

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-butylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-butylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-(4-butylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-butylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(4-butylphenyl)piperazine-1-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N5O3/c1-2-3-4-19-5-8-21(9-6-19)27-26(32)31-15-13-30(14-16-31)25-12-10-22(28-29-25)20-7-11-23-24(17-20)34-18-33-23/h5-12,17H,2-4,13-16,18H2,1H3,(H,27,32)