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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=NC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=NC=C4

InChI

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