5-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2/c1-32-25-16-20(13-14-24(25)33-18-19-8-3-2-4-9-19)26-22-11-5-6-12-23(22)29-27(31-30-26)21-10-7-15-28-17-21/h2-17,30H,18H2,1H3