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

Systemtic Name: 7-ethoxy-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-ethoxy-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H26N4O3/c1-3-35-23-12-13-25-24(17-23)28(32-33-29(31-25)22-10-7-15-30-18-22)21-11-14-26(27(16-21)34-2)36-19-20-8-5-4-6-9-20/h4-18,32H,3,19H2,1-2H3