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

Systemtic Name: 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(4-fluorophenyl)-7-isopropyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-2-(4-fluorophenyl)-7-isopropyl-4H-1,3,4-benzotriazepine Formula: C31H28FN3O2 MolecularWeight: 493.571323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28FN3O2/c1-20(2)23-11-15-27-26(17-23)30(34-35-31(33-27)22-9-13-25(32)14-10-22)24-12-16-28(29(18-24)36-3)37-19-21-7-5-4-6-8-21/h4-18,20,34H,19H2,1-3H3