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

Systemtic Name: 4-[4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-ethoxyphenyl)-7-ethyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-(7-ethyl-2-p-phenetyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2/c1-3-20-5-14-26-25(19-20)27(21-6-10-23(11-7-21)32-15-17-33-18-16-32)30-31-28(29-26)22-8-12-24(13-9-22)34-4-2/h5-14,19,30H,3-4,15-18H2,1-2H3