1,3-dimethyl-10-(6-pyrrolidin-1-ylhexyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one

Systemtic Name: 1,3-dimethyl-10-(6-pyrrolidin-1-ylhexyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Openeye Name: 1,3-dimethyl-10-(6-pyrrolidin-1-ylhexyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one CAS Name: 1,3-dimethyl-10-[6-(1-pyrrolidinyl)hexyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one IUPAC Name: 1,3-dimethyl-10-(6-pyrrolidin-1-ylhexyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Traditional Name: 1,3-dimethyl-10-(6-pyrrolidinohexyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)CCCCCCN4CCCC4)C

Isomeric SMILES

CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)CCCCCCN4CCCC4)C

InChI

InChI=1S/C22H31N5O/c1-17-20-21(25(2)24-17)22(28)23-18-11-5-6-12-19(18)27(20)16-8-4-3-7-13-26-14-9-10-15-26/h5-6,11-12H,3-4,7-10,13-16H2,1-2H3,(H,23,28)