[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-benzyl-1-piperidyl)methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-(4-benzylpiperidin-1-yl)methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-benzylpiperidino)methanone Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H32N4O3/c31-25(28-8-6-19(7-9-28)10-18-4-2-1-3-5-18)24-23(30(32)33)17-29(27-24)26-14-20-11-21(15-26)13-22(12-20)16-26/h1-5,17,19-22H,6-16H2