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

Systemtic Name: 4-[4-(2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Openeye Name: 4-[4-[2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(3-pyridinyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-(2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Traditional Name: 4-[4-[2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C23H21N5O MolecularWeight: 383.44574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O/c1-2-6-21-20(5-1)22(26-27-23(25-21)18-4-3-11-24-16-18)17-7-9-19(10-8-17)28-12-14-29-15-13-28/h1-11,16,26H,12-15H2