5-chloranyl-3-(1-oxidanylidene-1-piperidin-1-yl-hexan-2-yl)oxy-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-3-(1-oxidanylidene-1-piperidin-1-yl-hexan-2-yl)oxy-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Openeye Name: 5-chloro-3-[1-(piperidine-1-carbonyl)pentoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one CAS Name: 5-chloro-3-[1-oxo-1-(1-piperidinyl)hexan-2-yl]oxy-4-(3-pyridinylmethylamino)-1H-pyridazin-6-one IUPAC Name: 5-chloro-3-(1-oxo-1-piperidin-1-ylhexan-2-yl)oxy-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Traditional Name: 5-chloro-3-[1-(piperidine-1-carbonyl)pentoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCCCC1)OC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Cl

Isomeric SMILES

CCCCC(C(=O)N1CCCCC1)OC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C21H28ClN5O3/c1-2-3-9-16(21(29)27-11-5-4-6-12-27)30-20-18(17(22)19(28)25-26-20)24-14-15-8-7-10-23-13-15/h7-8,10,13,16H,2-6,9,11-12,14H2,1H3,(H2,24,25,28)