2-[4-[3-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[[2-morpholino-2-(2-thienyl)ethyl]amino]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[[2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[[2-morpholino-2-(2-thienyl)ethyl]amino]propoxy]phenyl]acetonitrile Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNCC(COC2=CC=C(C=C2)CC#N)O)C3=CC=CS3

Isomeric SMILES

C1COCCN1C(CNCC(COC2=CC=C(C=C2)CC#N)O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c22-8-7-17-3-5-19(6-4-17)27-16-18(25)14-23-15-20(21-2-1-13-28-21)24-9-11-26-12-10-24/h1-6,13,18,20,23,25H,7,9-12,14-16H2