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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4

InChI

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