2-(1-adamantyl)-4-chloranyl-5-[4-(4-nitrophenyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[4-(4-nitrophenyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[4-(4-nitrophenyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[4-(4-nitrophenyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[4-(4-nitrophenyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[4-(4-nitrophenyl)piperazino]pyridazin-3-one Formula: C24H28ClN5O3 MolecularWeight: 469.96382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C24H28ClN5O3/c25-22-21(28-7-5-27(6-8-28)19-1-3-20(4-2-19)30(32)33)15-26-29(23(22)31)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,15-18H,5-14H2