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

Systemtic Name: 7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-[4-(4-methoxyphenyl)phenyl]-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C28H24N4O MolecularWeight: 432.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H24N4O/c1-3-19-4-13-26-25(18-19)27(31-32-28(30-26)23-14-16-29-17-15-23)22-7-5-20(6-8-22)21-9-11-24(33-2)12-10-21/h4-18,31H,3H2,1-2H3