7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-isobutoxyphenyl)-7-methoxy-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-5-[4-(2-methylpropoxy)phenyl]-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-isobutoxyphenyl)-7-methoxy-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)OC

InChI

InChI=1S/C24H24N4O2/c1-16(2)15-30-19-6-4-17(5-7-19)23-21-14-20(29-3)8-9-22(21)26-24(28-27-23)18-10-12-25-13-11-18/h4-14,16,27H,15H2,1-3H3