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

Systemtic Name: 4-[4-[7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2/c1-3-19-4-13-25-24(18-19)26(20-5-9-22(10-6-20)31-14-16-33-17-15-31)29-30-27(28-25)21-7-11-23(32-2)12-8-21/h4-13,18,29H,3,14-17H2,1-2H3