3-[3-[3-morpholin-4-ylcarbonyl-4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[3-morpholin-4-ylcarbonyl-4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[3-(morpholine-4-carbonyl)-4-[2-(2-thienyl)acetyl]piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[3-[4-morpholinyl(oxo)methyl]-4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-[3-(morpholine-4-carbonyl)-4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[3-(morpholine-4-carbonyl)-4-[2-(2-thienyl)acetyl]piperazino]propoxy]benzonitrile Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCCOC2=CC=CC(=C2)C#N)C(=O)N3CCOCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(C(CN1CCCOC2=CC=CC(=C2)C#N)C(=O)N3CCOCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C25H30N4O4S/c26-18-20-4-1-5-21(16-20)33-12-3-7-27-8-9-29(24(30)17-22-6-2-15-34-22)23(19-27)25(31)28-10-13-32-14-11-28/h1-2,4-6,15-16,23H,3,7-14,17,19H2