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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-phenylpiperazino)methanone Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H29N5O3/c30-23(27-8-6-26(7-9-27)20-4-2-1-3-5-20)22-21(29(31)32)16-28(25-22)24-13-17-10-18(14-24)12-19(11-17)15-24/h1-5,16-19H,6-15H2