5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=NC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=NC=C4)OCC

InChI

InChI=1S/C23H22N4O2/c1-3-28-20-10-9-17(15-21(20)29-4-2)22-18-7-5-6-8-19(18)25-23(27-26-22)16-11-13-24-14-12-16/h5-15,26H,3-4H2,1-2H3