3-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one

Systemtic Name: 3-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Openeye Name: 3-methyl-10-[6-(1-piperidyl)hex-2-ynyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one CAS Name: 3-methyl-10-[6-(1-piperidinyl)hex-2-ynyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one IUPAC Name: 3-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Traditional Name: 3-methyl-10-(6-piperidinohex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)N(C3=CC=CC=C3NC2=O)CC#CCCCN4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)N(C3=CC=CC=C3NC2=O)CC#CCCCN4CCCCC4

InChI

InChI=1S/C22H27N5O/c1-25-21-20(17-23-25)27(19-12-6-5-11-18(19)24-22(21)28)16-10-3-2-7-13-26-14-8-4-9-15-26/h5-6,11-12,17H,2,4,7-9,13-16H2,1H3,(H,24,28)