5-(4-butoxyphenyl)-7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-methoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-methoxy-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-methoxy-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-methoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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