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

Systemtic Name: 4-[4-(8-methoxy-2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine Openeye Name: 4-[4-[8-methoxy-2-(2-thienyl)-1H-1,3,5-benzotriazepin-4-yl]phenyl]morpholine CAS Name: 4-[4-(8-methoxy-2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine IUPAC Name: 4-[4-(8-methoxy-2-thiophen-2-yl-1H-1,3,5-benzotriazepin-4-yl)phenyl]morpholine Traditional Name: 4-[4-[8-methoxy-2-(2-thienyl)-1H-1,3,5-benzotriazepin-4-yl]phenyl]morpholine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H22N4O2S/c1-28-18-8-9-19-20(15-18)25-23(21-3-2-14-30-21)26-22(24-19)16-4-6-17(7-5-16)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)