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

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

Systemtic Name:1-(1-adamantyl)-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
Openeye Name:1-(1-adamantyl)-4-nitro-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide
CAS Name:1-(1-adamantyl)-4-nitro-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide
IUPAC Name:1-(1-adamantyl)-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
Traditional Name:1-(1-adamantyl)-4-nitro-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide
Formula: C26H33N5O3
MolecularWeight: 463.57192
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C26H33N5O3/c32-25(27-22-6-4-18(5-7-22)16-29-8-2-1-3-9-29)24-23(31(33)34)17-30(28-24)26-13-19-10-20(14-26)12-21(11-19)15-26/h4-7,17,19-21H,1-3,8-16H2,(H,27,32)


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