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

Systemtic Name: 2-(4-methoxyphenyl)-7-methyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-7-methyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-7-methyl-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-7-methyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-7-methyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O/c1-14-5-10-19-18(12-14)20(16-4-3-11-22-13-16)24-25-21(23-19)15-6-8-17(26-2)9-7-15/h3-13,24H,1-2H3