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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-4-30-19-10-11-21-20(15-19)24(28-29-25(27-21)18-8-7-13-26-16-18)17-9-12-22(31-5-2)23(14-17)32-6-3/h7-16,28H,4-6H2,1-3H3