3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride

Systemtic Name: 3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride Openeye Name: 3-isopentyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride CAS Name: 3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride IUPAC Name: 3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride Traditional Name: 3-isoamyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride Formula: C21H29Cl2N3S MolecularWeight: 426.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4.Cl.Cl

Isomeric SMILES

CC(C)CCN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4.Cl.Cl

InChI

InChI=1S/C21H27N3S.2ClH/c1-16(2)9-10-23-11-12-24-17(15-23)14-22-21(20-8-5-13-25-20)18-6-3-4-7-19(18)24;;/h3-8,13,16-17H,9-12,14-15H2,1-2H3;2*1H