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

Systemtic Name: 4-[4-(8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine Openeye Name: 4-[4-[8-ethoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]morpholine CAS Name: 4-[4-(8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine IUPAC Name: 4-[4-(8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)phenyl]morpholine Traditional Name: 4-[4-[8-ethoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]morpholine Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N4CCOCC4)C5=CC=CS5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)N4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C24H24N4O2S/c1-2-30-19-9-10-20-21(16-19)26-23(27-24(25-20)22-4-3-15-31-22)17-5-7-18(8-6-17)28-11-13-29-14-12-28/h3-10,15-16H,2,11-14H2,1H3,(H,25,26,27)