2-(1-adamantyl)-4-chloranyl-5-[2-(3-methylphenyl)ethylamino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[2-(3-methylphenyl)ethylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[2-(m-tolyl)ethylamino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[2-(3-methylphenyl)ethylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[2-(3-methylphenyl)ethylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[2-(m-tolyl)ethylamino]pyridazin-3-one Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CCNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H28ClN3O/c1-15-3-2-4-16(7-15)5-6-25-20-14-26-27(22(28)21(20)24)23-11-17-8-18(12-23)10-19(9-17)13-23/h2-4,7,14,17-19,25H,5-6,8-13H2,1H3