2-[(2-bromophenyl)methyl]-6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid

Systemtic Name: 2-[(2-bromophenyl)methyl]-6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid Openeye Name: 2-[(2-bromophenyl)methyl]-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid CAS Name: 2-[(2-bromophenyl)methyl]-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid IUPAC Name: 2-[(2-bromophenyl)methyl]-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid Traditional Name: 2-(2-bromobenzyl)-6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)hexanoic acid Formula: C19H23BrN4O3 MolecularWeight: 435.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N(C=N2)CCCCC(CC3=CC=CC=C3Br)C(=O)O)O

Isomeric SMILES

C1C(C2=C(NC=N1)N(C=N2)CCCCC(CC3=CC=CC=C3Br)C(=O)O)O

InChI

InChI=1S/C19H23BrN4O3/c20-15-7-2-1-5-13(15)9-14(19(26)27)6-3-4-8-24-12-23-17-16(25)10-21-11-22-18(17)24/h1-2,5,7,11-12,14,16,25H,3-4,6,8-10H2,(H,21,22)(H,26,27)