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

Systemtic Name: 4-[4-(7-chloranyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[7-chloro-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[7-chloro-2-(3-pyridinyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-(7-chloro-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[7-chloro-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C23H20ClN5O MolecularWeight: 417.8908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5O/c24-18-5-8-21-20(14-18)22(27-28-23(26-21)17-2-1-9-25-15-17)16-3-6-19(7-4-16)29-10-12-30-13-11-29/h1-9,14-15,27H,10-13H2