8-ethyl-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethyl-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-2-(4-methoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-2-(4-methoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4O/c1-3-15-4-9-19-20(14-15)25-21(16-5-7-18(27-2)8-6-16)26-22(24-19)17-10-12-23-13-11-17/h4-14H,3H2,1-2H3,(H,24,25,26)