7-bromanyl-5-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-5-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)-4H-1,3,4-benzotriazepine Formula: C26H26BrN3O2 MolecularWeight: 492.40754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C26H26BrN3O2/c1-4-17-7-9-18(10-8-17)26-28-22-13-12-20(27)16-21(22)25(29-30-26)19-11-14-23(31-5-2)24(15-19)32-6-3/h7-16,29H,4-6H2,1-3H3