N-cycloheptyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-cycloheptyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-cycloheptyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-cycloheptyl-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-cycloheptyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-cycloheptyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c23-18(19-14-7-3-1-2-4-8-14)15-11-12-21(20-15)13-26-17-10-6-5-9-16(17)22(24)25/h5-6,9-12,14H,1-4,7-8,13H2,(H,19,23)