5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-butylcyclohexyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-butylcyclohexyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-butylcyclohexyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-butylcyclohexyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-butylcyclohexyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-butylcyclohexyl)-5-(piperonylamino)oxazole-4-carbonitrile Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C22H27N3O3/c1-2-3-4-15-5-8-17(9-6-15)21-25-18(12-23)22(28-21)24-13-16-7-10-19-20(11-16)27-14-26-19/h7,10-11,15,17,24H,2-6,8-9,13-14H2,1H3