4-chloranyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide Openeye Name: 4-chloro-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: 4-chloro-N-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: 4-chloro-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-4-chloro-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C29H28ClN5O4 MolecularWeight: 546.01672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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