1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[2-(dipentylamino)-1-methyl-ethyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[2-(diamylamino)-1-methyl-ethyl]pyrazole-3-carboxamide Formula: C24H36ClN5O4 MolecularWeight: 494.02674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CC(C)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCN(CCCCC)CC(C)NC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H36ClN5O4/c1-4-6-8-13-28(14-9-7-5-2)17-19(3)26-24(31)22-12-15-29(27-22)18-34-23-11-10-20(30(32)33)16-21(23)25/h10-12,15-16,19H,4-9,13-14,17-18H2,1-3H3,(H,26,31)