N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3-chlorobenzyl)pyrazol-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C18H19ClN6O3 MolecularWeight: 402.83486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN6O3/c1-12-18(25(27)28)13(2)24(22-12)7-6-17(26)21-16-9-20-23(11-16)10-14-4-3-5-15(19)8-14/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,21,26)