2-[(3-morpholin-4-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3-morpholin-4-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-morpholinoquinoxalin-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[3-(4-morpholinyl)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-morpholin-4-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(3-morpholinoquinoxalin-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC3=NC4=CC=CC=C4N=C3N5CCOCC5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC3=NC4=CC=CC=C4N=C3N5CCOCC5)C#N

InChI

InChI=1S/C21H21N5OS/c22-13-15-14-5-1-4-8-18(14)28-21(15)25-19-20(26-9-11-27-12-10-26)24-17-7-3-2-6-16(17)23-19/h2-3,6-7H,1,4-5,8-12H2,(H,23,25)