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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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