2-(1-adamantyl)-4-chloranyl-5-[(phenylmethyl)amino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(phenylmethyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(benzylamino)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(phenylmethyl)amino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-(benzylamino)-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-(benzylamino)-4-chloro-pyridazin-3-one Formula: C21H24ClN3O MolecularWeight: 369.88776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl

InChI

InChI=1S/C21H24ClN3O/c22-19-18(23-12-14-4-2-1-3-5-14)13-24-25(20(19)26)21-9-15-6-16(10-21)8-17(7-15)11-21/h1-5,13,15-17,23H,6-12H2