2-methyl-4-(4-methylpiperazin-1-yl)-7-methylsulfonyl-1H-pyrazolo[4,3-c][1,5]benzodiazepine

Systemtic Name: 2-methyl-4-(4-methylpiperazin-1-yl)-7-methylsulfonyl-1H-pyrazolo[4,3-c][1,5]benzodiazepine Openeye Name: 2-methyl-4-(4-methylpiperazin-1-yl)-7-methylsulfonyl-1H-pyrazolo[4,3-c][1,5]benzodiazepine CAS Name: 2-methyl-4-(4-methyl-1-piperazinyl)-7-methylsulfonyl-1H-pyrazolo[4,3-c][1,5]benzodiazepine IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-7-methylsulfonyl-1H-pyrazolo[4,3-c][1,5]benzodiazepine Traditional Name: 7-mesyl-2-methyl-4-(4-methylpiperazino)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)N=C4C2=CN(N4)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)S(=O)(=O)C)N=C4C2=CN(N4)C

InChI

InChI=1S/C17H22N6O2S/c1-21-6-8-23(9-7-21)17-13-11-22(2)20-16(13)18-14-5-4-12(26(3,24)25)10-15(14)19-17/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)