5-[4-(2-methylpropoxy)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-[4-(2-methylpropoxy)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-isobutoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-[4-(2-methylpropoxy)phenyl]-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-[4-(2-methylpropoxy)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-isobutoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4O/c1-16(2)15-28-19-11-9-17(10-12-19)22-20-7-3-4-8-21(20)25-23(27-26-22)18-6-5-13-24-14-18/h3-14,16,26H,15H2,1-2H3