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

Systemtic Name: 4-[4-(7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[7-ethoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-(7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine IUPAC Name: 4-[4-(7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[7-ethoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N5CCOCC5

InChI

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