3-azanyl-1-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoyl]pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoyl]pyrazole-4-carbonitrile Openeye Name: 3-amino-1-[6-(1,3-dioxoisoindolin-2-yl)hexanoyl]pyrazole-4-carbonitrile CAS Name: 3-amino-1-[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]pyrazole-4-carbonitrile Traditional Name: 3-amino-1-(6-phthalimidohexanoyl)pyrazole-4-carbonitrile Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)N3C=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)N3C=C(C(=N3)N)C#N

InChI

InChI=1S/C18H17N5O3/c19-10-12-11-23(21-16(12)20)15(24)8-2-1-5-9-22-17(25)13-6-3-4-7-14(13)18(22)26/h3-4,6-7,11H,1-2,5,8-9H2,(H2,20,21)