5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H22N4O MolecularWeight: 370.44698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=NC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4O/c1-2-3-16-28-19-10-8-17(9-11-19)22-20-6-4-5-7-21(20)25-23(27-26-22)18-12-14-24-15-13-18/h4-15,26H,2-3,16H2,1H3