3-methyl-2-propan-2-yl-4-thiophen-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride

Systemtic Name: 3-methyl-2-propan-2-yl-4-thiophen-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Openeye Name: 2-isopropyl-3-methyl-4-(2-thienyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride CAS Name: 3-methyl-2-propan-2-yl-4-thiophen-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride IUPAC Name: 3-methyl-2-propan-2-yl-4-thiophen-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Traditional Name: 2-isopropyl-3-methyl-4-(2-thienyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Formula: C17H23ClN2OS MolecularWeight: 338.89532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2CC(N1C)C3=CC=CS3.O.Cl

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2CC(N1C)C3=CC=CS3.O.Cl

InChI

InChI=1S/C17H20N2S.ClH.H2O/c1-12(2)17-18-14-8-5-4-7-13(14)11-15(19(17)3)16-9-6-10-20-16;;/h4-10,12,15H,11H2,1-3H3;1H;1H2