3-[3-[4-azanyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propyl]benzenecarbonitrile

Systemtic Name: 3-[3-[4-azanyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propyl]benzenecarbonitrile Openeye Name: 3-[3-(4-amino-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]benzonitrile CAS Name: 3-[3-(4-amino-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]benzonitrile IUPAC Name: 3-[3-(4-amino-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]benzonitrile Traditional Name: 3-[3-(4-amino-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)propyl]benzonitrile Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2C1C(=O)N(C2=O)CCCC3=CC=CC(=C3)C#N)N

Isomeric SMILES

C1C=CC(C2C1C(=O)N(C2=O)CCCC3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C18H19N3O2/c19-11-13-5-1-4-12(10-13)6-3-9-21-17(22)14-7-2-8-15(20)16(14)18(21)23/h1-2,4-5,8,10,14-16H,3,6-7,9,20H2