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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(3-chlorophenyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(3-chlorophenyl)piperazino]methanone Formula: C24H28ClN5O3 MolecularWeight: 469.96382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN5O3/c25-19-2-1-3-20(11-19)27-4-6-28(7-5-27)23(31)22-21(30(32)33)15-29(26-22)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-3,11,15-18H,4-10,12-14H2