4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N,N-bis(phenylmethyl)butanamide

Systemtic Name: 4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N,N-bis(phenylmethyl)butanamide Openeye Name: N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: 4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N,N-bis(phenylmethyl)butanamide IUPAC Name: N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N,N-dibenzyl-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O3/c1-17-21(23)22(27(29)30)24-26(17)14-8-13-20(28)25(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-16H2,1H3