[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-yl-methanone dihydrochloride

Systemtic Name: [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-yl-methanone dihydrochloride Openeye Name: [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-(1-naphthyl)methanone dihydrochloride CAS Name: [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]-1-piperazinyl]-(1-naphthalenyl)methanone dihydrochloride IUPAC Name: [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone dihydrochloride Traditional Name: [(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazino]-(1-naphthyl)methanone dihydrochloride Formula: C24H32Cl2N4O MolecularWeight: 463.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CCC2=CN=CN2)C(=O)C3=CC=CC4=CC=CC=C43.Cl.Cl

Isomeric SMILES

CCCC[C@H]1CN(CCN1CCC2=CN=CN2)C(=O)C3=CC=CC4=CC=CC=C43.Cl.Cl

InChI

InChI=1S/C24H30N4O.2ClH/c1-2-3-9-21-17-28(15-14-27(21)13-12-20-16-25-18-26-20)24(29)23-11-6-8-19-7-4-5-10-22(19)23;;/h4-8,10-11,16,18,21H,2-3,9,12-15,17H2,1H3,(H,25,26);2*1H/t21-;;/m0../s1