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1-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide

1-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name:1-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide
Openeye Name:1-(1-adamantyl)-N-[3-(morpholinomethyl)phenyl]-4-nitro-pyrazole-3-carboxamide
CAS Name:1-(1-adamantyl)-N-[3-(4-morpholinylmethyl)phenyl]-4-nitro-3-pyrazolecarboxamide
IUPAC Name:1-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitropyrazole-3-carboxamide
Traditional Name:1-(1-adamantyl)-N-[3-(morpholinomethyl)phenyl]-4-nitro-pyrazole-3-carboxamide
Formula: C25H31N5O4
MolecularWeight: 465.54474
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C25H31N5O4/c31-24(26-21-3-1-2-17(11-21)15-28-4-6-34-7-5-28)23-22(30(32)33)16-29(27-23)25-12-18-8-19(13-25)10-20(9-18)14-25/h1-3,11,16,18-20H,4-10,12-15H2,(H,26,31)


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