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

Systemtic Name: 7-ethoxy-2-(4-methoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-2-(4-methoxyphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-2-(4-methoxyphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-2-(4-methoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-2-(4-methoxyphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2/c1-3-28-18-10-11-20-19(13-18)21(16-5-4-12-23-14-16)25-26-22(24-20)15-6-8-17(27-2)9-7-15/h4-14,25H,3H2,1-2H3