2-[4-[(cyclohexylmethylamino)methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

Systemtic Name: 2-[4-[(cyclohexylmethylamino)methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[4-[(cyclohexylmethylamino)methyl]-2-pyridyl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[4-[(cyclohexylmethylamino)methyl]-2-pyridinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[4-[(cyclohexylmethylamino)methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[4-[(cyclohexylmethylamino)methyl]-2-pyridyl]-4-(3-pyridyl)-3-pyrazolin-3-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5O/c27-21-19(18-7-4-9-22-14-18)15-25-26(21)20-11-17(8-10-24-20)13-23-12-16-5-2-1-3-6-16/h4,7-11,14-16,23,25H,1-3,5-6,12-13H2