3-(cyclopenten-1-ylmethyl)-5-[(3-methylisoquinolin-1-yl)methyl]-2-piperazin-1-yl-6-prop-2-ynyl-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 3-(cyclopenten-1-ylmethyl)-5-[(3-methylisoquinolin-1-yl)methyl]-2-piperazin-1-yl-6-prop-2-ynyl-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-(cyclopenten-1-ylmethyl)-5-[(3-methyl-1-isoquinolyl)methyl]-2-piperazin-1-yl-6-prop-2-ynyl-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 3-(1-cyclopentenylmethyl)-5-[(3-methyl-1-isoquinolinyl)methyl]-2-(1-piperazinyl)-6-prop-2-ynylimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-(cyclopenten-1-ylmethyl)-5-[(3-methylisoquinolin-1-yl)methyl]-2-piperazin-1-yl-6-prop-2-ynylimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-(cyclopenten-1-ylmethyl)-5-[(3-methyl-1-isoquinolyl)methyl]-2-piperazino-6-propargyl-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=N1)CN3C(=O)C4=C(C(=O)N3CC#C)N=C(N4CC5=CCCC5)N6CCNCC6

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=N1)CN3C(=O)C4=C(C(=O)N3CC#C)N=C(N4CC5=CCCC5)N6CCNCC6

InChI

InChI=1S/C29H31N7O2/c1-3-14-35-27(37)25-26(28(38)36(35)19-24-23-11-7-6-10-22(23)17-20(2)31-24)34(18-21-8-4-5-9-21)29(32-25)33-15-12-30-13-16-33/h1,6-8,10-11,17,30H,4-5,9,12-16,18-19H2,2H3