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

Systemtic Name: 3-but-2-ynyl-6-methyl-2-piperazin-1-yl-5-(quinolin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-but-2-ynyl-6-methyl-2-piperazin-1-yl-5-(2-quinolylmethyl)imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 3-but-2-ynyl-6-methyl-2-(1-piperazinyl)-5-(2-quinolinylmethyl)imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-but-2-ynyl-6-methyl-2-piperazin-1-yl-5-(quinolin-2-ylmethyl)imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-but-2-ynyl-6-methyl-2-piperazino-5-(2-quinolylmethyl)imidazo[4,5-d]pyridazine-4,7-quinone Formula: C24H25N7O2 MolecularWeight: 443.501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC4=CC=CC=C4C=C3)C)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC3=NC4=CC=CC=C4C=C3)C)N=C1N5CCNCC5

InChI

InChI=1S/C24H25N7O2/c1-3-4-13-30-21-20(27-24(30)29-14-11-25-12-15-29)22(32)28(2)31(23(21)33)16-18-10-9-17-7-5-6-8-19(17)26-18/h5-10,25H,11-16H2,1-2H3