2-(4-imidazol-1-ylbutyl)-4-methyl-isoindole-1,3-dione

Systemtic Name: 2-(4-imidazol-1-ylbutyl)-4-methyl-isoindole-1,3-dione Openeye Name: 2-(4-imidazol-1-ylbutyl)-4-methyl-isoindoline-1,3-dione CAS Name: 2-[4-(1-imidazolyl)butyl]-4-methylisoindole-1,3-dione IUPAC Name: 2-(4-imidazol-1-ylbutyl)-4-methylisoindole-1,3-dione Traditional Name: 2-(4-imidazol-1-ylbutyl)-4-methyl-isoindoline-1,3-quinone Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C2=O)CCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C2=O)CCCCN3C=CN=C3

InChI

InChI=1S/C16H17N3O2/c1-12-5-4-6-13-14(12)16(21)19(15(13)20)9-3-2-8-18-10-7-17-11-18/h4-7,10-11H,2-3,8-9H2,1H3