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

Systemtic Name: 6-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoic acid Openeye Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoic acid CAS Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenylhexanoic acid IUPAC Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenylhexanoic acid Traditional Name: 6-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-1-yl)-2-phenyl-hexanoic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N=CN2CCCCC(C3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

C1C(C2=C(NC=N1)N=CN2CCCCC(C3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C18H22N4O3/c23-15-10-19-11-20-17-16(15)22(12-21-17)9-5-4-8-14(18(24)25)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15,23H,4-5,8-10H2,(H,19,20)(H,24,25)