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

Systemtic Name: 2-(4-ethylphenyl)-7-methoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethylphenyl)-7-methoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethylphenyl)-7-methoxy-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-ethylphenyl)-7-methoxy-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC)C4=CC=NC=C4

InChI

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