8-ethoxy-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethoxy-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-2-(4-methoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-2-(4-methoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-2-(4-methoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4O2/c1-3-28-18-8-9-19-20(14-18)25-21(15-4-6-17(27-2)7-5-15)26-22(24-19)16-10-12-23-13-11-16/h4-14H,3H2,1-2H3,(H,24,25,26)