4-(4-bromophenyl)-2-(3,4-diethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-bromophenyl)-2-(3,4-diethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-bromophenyl)-2-(3,4-diethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine CAS Name: 4-(4-bromophenyl)-2-(3,4-diethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-bromophenyl)-2-(3,4-diethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-bromophenyl)-2-(3,4-diethoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)C)C4=CC=C(C=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)C)C4=CC=C(C=C4)Br)OCC

InChI

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