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

Systemtic Name: 5-(3,4-diethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-2-(3-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=CN=CC=C4)OCC

Isomeric SMILES

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

InChI

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