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

Systemtic Name: 7-chloranyl-2-decyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Openeye Name: 7-chloro-2-decyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine CAS Name: 7-chloro-2-decyl-4-(4-methyl-1-piperazinyl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine IUPAC Name: 7-chloro-2-decyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Traditional Name: 7-chloro-2-decyl-4-(4-methylpiperazino)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Formula: C25H37ClN6 MolecularWeight: 457.05448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=C2C(=NC3=C(C=C(C=C3)Cl)N=C2N4CCN(CC4)C)N1

Isomeric SMILES

CCCCCCCCCCN1C=C2C(=NC3=C(C=C(C=C3)Cl)N=C2N4CCN(CC4)C)N1

InChI

InChI=1S/C25H37ClN6/c1-3-4-5-6-7-8-9-10-13-32-19-21-24(29-32)27-22-12-11-20(26)18-23(22)28-25(21)31-16-14-30(2)15-17-31/h11-12,18-19H,3-10,13-17H2,1-2H3,(H,27,29)