2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-phenacyl-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-phenacyl-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-6-methyl-5-phenacyl-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-6-methyl-5-phenacylimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-6-methyl-5-phenacylimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-6-methyl-5-phenacyl-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=O)N(N(C2=O)CC(=O)C3=CC=CC=C3)C)N=C1N4CCCC(C4)N

Isomeric SMILES

CC#CCN1C2=C(C(=O)N(N(C2=O)CC(=O)C3=CC=CC=C3)C)N=C1N4CCC[C@H](C4)N

InChI

InChI=1S/C23H26N6O3/c1-3-4-13-28-20-19(25-23(28)27-12-8-11-17(24)14-27)21(31)26(2)29(22(20)32)15-18(30)16-9-6-5-7-10-16/h5-7,9-10,17H,8,11-15,24H2,1-2H3/t17-/m1/s1