2-(3,5-dimethoxyphenyl)-7-methoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(3,5-dimethoxyphenyl)-7-methoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(3,5-dimethoxyphenyl)-7-methoxy-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(3,5-dimethoxyphenyl)-7-methoxy-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(3,5-dimethoxyphenyl)-7-methoxy-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(3,5-dimethoxyphenyl)-7-methoxy-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC(=CC(=C3)OC)OC)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC(=CC(=C3)OC)OC)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-27-16-6-7-20-19(12-16)21(14-5-4-8-23-13-14)25-26-22(24-20)15-9-17(28-2)11-18(10-15)29-3/h4-13,25H,1-3H3