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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=C(C=C4)N5CCOCC5

InChI

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