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

Systemtic Name: 4-[4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine IUPAC Name: 4-[4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C24H24N4OS/c1-2-17-5-10-21-20(16-17)23(26-27-24(25-21)22-4-3-15-30-22)18-6-8-19(9-7-18)28-11-13-29-14-12-28/h3-10,15-16,26H,2,11-14H2,1H3