6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoic acid

Systemtic Name: 6-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoic acid Openeye Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoic acid CAS Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylhexanoic acid IUPAC Name: 6-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenylhexanoic acid Traditional Name: 6-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N(C=N2)CCCCC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N(C=N2)CCCCC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H20N4O3/c23-15-10-19-11-20-17-16(15)21-12-22(17)9-5-4-8-14(18(24)25)13-6-2-1-3-7-13/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,19,20)(H,24,25)