2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-7-isopropyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-7-isopropyl-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C30H26FN3O MolecularWeight: 463.545343

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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)C5=CC=C(C=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)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H26FN3O/c1-19(2)24-12-17-28-27(18-24)29(33-34-30(32-28)23-8-13-25(31)14-9-23)22-6-4-20(5-7-22)21-10-15-26(35-3)16-11-21/h4-19,33H,1-3H3