4-[4-(7-bromanyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine

Systemtic Name: 4-[4-(7-bromanyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[7-bromo-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-(7-bromo-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine IUPAC Name: 4-[4-(7-bromo-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[7-bromo-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=CS5)Br

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=CS5)Br

InChI

InChI=1S/C22H19BrN4OS/c23-16-5-8-19-18(14-16)21(25-26-22(24-19)20-2-1-13-29-20)15-3-6-17(7-4-15)27-9-11-28-12-10-27/h1-8,13-14,25H,9-12H2