(4S,5S)-4-azanyl-2-(1,2-diazepin-1-yl)-5-methyl-3-oxidanylidene-heptanal

Systemtic Name: (4S,5S)-4-azanyl-2-(1,2-diazepin-1-yl)-5-methyl-3-oxidanylidene-heptanal Openeye Name: (4S,5S)-4-amino-2-(diazepin-1-yl)-5-methyl-3-oxo-heptanal CAS Name: (4S,5S)-4-amino-2-(1-diazepinyl)-5-methyl-3-oxoheptanal IUPAC Name: (4S,5S)-4-amino-2-(diazepin-1-yl)-5-methyl-3-oxoheptanal Traditional Name: (4S,5S)-4-amino-2-(diazepin-1-yl)-3-keto-5-methyl-enanthaldehyde Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(C=O)N1C=CC=CC=N1)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)C(C=O)N1C=CC=CC=N1)N

InChI

InChI=1S/C13H19N3O2/c1-3-10(2)12(14)13(18)11(9-17)16-8-6-4-5-7-15-16/h4-12H,3,14H2,1-2H3/t10-,11?,12-/m0/s1