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

Systemtic Name: 8-ethoxy-2-(4-propoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-2-(4-propoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-2-(4-propoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-2-(4-propoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-2-(4-propoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OCC)C4=CC=NC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OCC)C4=CC=NC=C4

InChI

InChI=1S/C24H24N4O2/c1-3-15-30-19-7-5-17(6-8-19)23-27-22-16-20(29-4-2)9-10-21(22)26-24(28-23)18-11-13-25-14-12-18/h5-14,16H,3-4,15H2,1-2H3,(H,26,27,28)