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

Systemtic Name: 5-(3-methoxy-4-phenylmethoxy-phenyl)-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C28H24N4O2/c1-19-10-12-24-23(15-19)27(31-32-28(30-24)22-9-6-14-29-17-22)21-11-13-25(26(16-21)33-2)34-18-20-7-4-3-5-8-20/h3-17,31H,18H2,1-2H3