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

Systemtic Name: 2-(4-imidazol-1-ylbutyl)-4-methyl-isoindole-1,3-dione hydrochloride Openeye Name: 2-(4-imidazol-1-ylbutyl)-4-methyl-isoindoline-1,3-dione hydrochloride CAS Name: 2-[4-(1-imidazolyl)butyl]-4-methylisoindole-1,3-dione hydrochloride IUPAC Name: 2-(4-imidazol-1-ylbutyl)-4-methylisoindole-1,3-dione hydrochloride Traditional Name: 2-(4-imidazol-1-ylbutyl)-4-methyl-isoindoline-1,3-quinone hydrochloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2.ClH/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;1H