2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)C)OCC

InChI

InChI=1S/C25H24BrN3O2/c1-4-30-22-13-9-18(15-23(22)31-5-2)24-20-14-16(3)6-12-21(20)27-25(29-28-24)17-7-10-19(26)11-8-17/h6-15,28H,4-5H2,1-3H3