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

Systemtic Name: 5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)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=CS3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H25N3OS/c1-18(2)22-12-15-25-24(17-22)27(30-31-28(29-25)26-5-4-16-33-26)21-8-6-19(7-9-21)20-10-13-23(32-3)14-11-20/h4-18,30H,1-3H3