N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-4-chloro-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-benzyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]-4-chloro-3-nitro-benzamide Formula: C29H28ClN5O4 MolecularWeight: 546.01672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN5O4/c1-29(2,3)25-17-26(34(32-25)22-12-8-5-9-13-22)31-27(36)19-33(18-20-10-6-4-7-11-20)28(37)21-14-15-23(30)24(16-21)35(38)39/h4-17H,18-19H2,1-3H3,(H,31,36)