1-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazine-1-carbonyl)pyrrole-3-carbonitrile CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-1-piperazinyl)-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazine-1-carbonyl)pyrrole-3-carbonitrile Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazine-1-carbonyl)pyrrole-3-carbonitrile Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C=CN2C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C=CN2C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C19H20N4O3/c1-2-21-7-9-22(10-8-21)19(24)18-14(12-20)5-6-23(18)15-3-4-16-17(11-15)26-13-25-16/h3-6,11H,2,7-10,13H2,1H3