5-(1-adamantyl)-4-(2-azanylethyl)-1,2-dihydropyrazol-3-one; methane

Systemtic Name: 5-(1-adamantyl)-4-(2-azanylethyl)-1,2-dihydropyrazol-3-one; methane Openeye Name: 5-(1-adamantyl)-4-(2-aminoethyl)-1,2-dihydropyrazol-3-one; methane CAS Name: 5-(1-adamantyl)-4-(2-aminoethyl)-1,2-dihydropyrazol-3-one; methane IUPAC Name: 5-(1-adamantyl)-4-(2-aminoethyl)-1,2-dihydropyrazol-3-one; methane Traditional Name: 5-(1-adamantyl)-4-(2-aminoethyl)-3-pyrazolin-3-one; methane Formula: C16H27N3O MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

C.C1C2CC3CC1CC(C2)(C3)C4=C(C(=O)NN4)CCN

Isomeric SMILES

C.C1C2CC3CC1CC(C2)(C3)C4=C(C(=O)NN4)CCN

InChI

InChI=1S/C15H23N3O.CH4/c16-2-1-12-13(17-18-14(12)19)15-6-9-3-10(7-15)5-11(4-9)8-15;/h9-11H,1-8,16H2,(H2,17,18,19);1H4