4-[4-(8-chloranyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine

Systemtic Name: 4-[4-(8-chloranyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine Openeye Name: 4-[4-[8-chloro-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]morpholine CAS Name: 4-[4-(8-chloro-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine IUPAC Name: 4-[4-(8-chloro-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine Traditional Name: 4-[4-[8-chloro-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]morpholine Formula: C22H19ClN4OS MolecularWeight: 422.93046

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C3=NC(=NC4=C(N3)C=C(C=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C3=NC(=NC4=C(N3)C=C(C=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C22H19ClN4OS/c23-16-5-8-18-19(14-16)25-21(26-22(24-18)20-2-1-13-29-20)15-3-6-17(7-4-15)27-9-11-28-12-10-27/h1-8,13-14H,9-12H2,(H,24,25,26)