3-methyl-4-(3-methylthiophen-2-yl)-2-propyl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride

Systemtic Name: 3-methyl-4-(3-methylthiophen-2-yl)-2-propyl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Openeye Name: 3-methyl-4-(3-methyl-2-thienyl)-2-propyl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride CAS Name: 3-methyl-4-(3-methyl-2-thiophenyl)-2-propyl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride IUPAC Name: 3-methyl-4-(3-methylthiophen-2-yl)-2-propyl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Traditional Name: 3-methyl-4-(3-methyl-2-thienyl)-2-propyl-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Formula: C18H25ClN2OS MolecularWeight: 352.9219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2CC(N1C)C3=C(C=CS3)C.O.Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2CC(N1C)C3=C(C=CS3)C.O.Cl

InChI

InChI=1S/C18H22N2S.ClH.H2O/c1-4-7-17-19-15-9-6-5-8-14(15)12-16(20(17)3)18-13(2)10-11-21-18;;/h5-6,8-11,16H,4,7,12H2,1-3H3;1H;1H2