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

Systemtic Name: 5-(4-ethoxyphenyl)-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-methyl-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methyl-5-p-phenetyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O/c1-3-27-18-9-7-16(8-10-18)21-19-13-15(2)6-11-20(19)24-22(26-25-21)17-5-4-12-23-14-17/h4-14,25H,3H2,1-2H3