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

Systemtic Name: 4-[4-[2-(4-bromophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-bromophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-bromophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-bromophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[2-(4-bromophenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C24H21BrN4O MolecularWeight: 461.35374

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C3=C4C=CC=CC4=NC(=NN3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C3=C4C=CC=CC4=NC(=NN3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H21BrN4O/c25-19-9-5-18(6-10-19)24-26-22-4-2-1-3-21(22)23(27-28-24)17-7-11-20(12-8-17)29-13-15-30-16-14-29/h1-12,27H,13-16H2