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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-benzhydrylpiperazin-1-yl)methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-(4-benzhydrylpiperazin-1-yl)methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-benzhydrylpiperazino)methanone Formula: C31H35N5O3 MolecularWeight: 525.6413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NN(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NN(C=C4[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H35N5O3/c37-30(28-27(36(38)39)21-35(32-28)31-18-22-15-23(19-31)17-24(16-22)20-31)34-13-11-33(12-14-34)29(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,21-24,29H,11-20H2