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

Systemtic Name: 2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[3-(1-piperidyl)quinoxalin-2-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[3-(1-piperidinyl)-2-quinoxalinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(3-piperidinoquinoxalin-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C22H23N5S/c23-14-16-15-8-2-5-11-19(15)28-22(16)26-20-21(27-12-6-1-7-13-27)25-18-10-4-3-9-17(18)24-20/h3-4,9-10H,1-2,5-8,11-13H2,(H,24,26)