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

Systemtic Name: 7-ethoxy-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-[4-(4-methoxyphenyl)phenyl]-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-5-[4-(4-methoxyphenyl)phenyl]-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=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/C28H24N4O2/c1-3-34-24-12-13-26-25(18-24)27(31-32-28(30-26)22-14-16-29-17-15-22)21-6-4-19(5-7-21)20-8-10-23(33-2)11-9-20/h4-18,31H,3H2,1-2H3