4-[4-(2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine

Systemtic Name: 4-[4-(2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine Openeye Name: 4-[4-[2-(2-thienyl)-1H-1,3,5-benzotriazepin-4-yl]phenyl]morpholine CAS Name: 4-[4-(2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine IUPAC Name: 4-[4-(2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine Traditional Name: 4-[4-[2-(2-thienyl)-1H-1,3,5-benzotriazepin-4-yl]phenyl]morpholine Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4NC(=N3)C5=CC=CS5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4NC(=N3)C5=CC=CS5

InChI

InChI=1S/C22H20N4OS/c1-2-5-19-18(4-1)23-21(25-22(24-19)20-6-3-15-28-20)16-7-9-17(10-8-16)26-11-13-27-14-12-26/h1-10,15H,11-14H2,(H,23,24,25)