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

Systemtic Name: 5-(4-propoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-propoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-propoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-propoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-propoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4O/c1-2-14-27-18-11-9-16(10-12-18)21-19-7-3-4-8-20(19)24-22(26-25-21)17-6-5-13-23-15-17/h3-13,15,25H,2,14H2,1H3