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

Systemtic Name: 8-methoxy-2-(3-methoxy-4-phenylmethoxy-phenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-8-methoxy-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-8-methoxy-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C28H24N4O3 MolecularWeight: 464.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C5=CC=NC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C28H24N4O3/c1-33-22-9-10-23-24(17-22)31-28(32-27(30-23)20-12-14-29-15-13-20)21-8-11-25(26(16-21)34-2)35-18-19-6-4-3-5-7-19/h3-17H,18H2,1-2H3,(H,30,31,32)