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

Systemtic Name: 3-methyl-2-propan-2-yl-4-thiophen-3-yl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Openeye Name: 2-isopropyl-3-methyl-4-(3-thienyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride CAS Name: 3-methyl-2-propan-2-yl-4-(3-thiophenyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride IUPAC Name: 3-methyl-2-propan-2-yl-4-thiophen-3-yl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Traditional Name: 2-isopropyl-3-methyl-4-(3-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=CSC=C3.O.Cl

Isomeric SMILES

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

InChI

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