N-[4-[5-[[2-acetamido-4-[(4-chlorophenyl)-ethyl-amino]phenyl]diazenyl]-4-cyano-3-methyl-pyrazol-1-yl]-3,5-bis(chloranyl)phenyl]-2-ethyl-hexanamide

Systemtic Name: N-[4-[5-[[2-acetamido-4-[(4-chlorophenyl)-ethyl-amino]phenyl]diazenyl]-4-cyano-3-methyl-pyrazol-1-yl]-3,5-bis(chloranyl)phenyl]-2-ethyl-hexanamide Openeye Name: N-[4-[5-[2-acetamido-4-(4-chloro-N-ethyl-anilino)phenyl]azo-4-cyano-3-methyl-pyrazol-1-yl]-3,5-dichloro-phenyl]-2-ethyl-hexanamide CAS Name: N-[4-[5-[2-acetamido-4-(4-chloro-N-ethylanilino)phenyl]azo-4-cyano-3-methyl-1-pyrazolyl]-3,5-dichlorophenyl]-2-ethylhexanamide IUPAC Name: N-[4-[5-[[2-acetamido-4-(4-chloro-N-ethylanilino)phenyl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]-3,5-dichlorophenyl]-2-ethylhexanamide Traditional Name: N-[4-[5-[2-acetamido-4-(4-chloro-N-ethyl-anilino)phenyl]azo-4-cyano-3-methyl-pyrazol-1-yl]-3,5-dichloro-phenyl]-2-ethyl-hexanamide Formula: C35H37Cl3N8O2 MolecularWeight: 708.07968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C(=C1)Cl)N2C(=C(C(=N2)C)C#N)N=NC3=C(C=C(C=C3)N(CC)C4=CC=C(C=C4)Cl)NC(=O)C)Cl

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C(=C1)Cl)N2C(=C(C(=N2)C)C#N)N=NC3=C(C=C(C=C3)N(CC)C4=CC=C(C=C4)Cl)NC(=O)C)Cl

InChI

InChI=1S/C35H37Cl3N8O2/c1-6-9-10-23(7-2)35(48)41-25-17-29(37)33(30(38)18-25)46-34(28(20-39)21(4)44-46)43-42-31-16-15-27(19-32(31)40-22(5)47)45(8-3)26-13-11-24(36)12-14-26/h11-19,23H,6-10H2,1-5H3,(H,40,47)(H,41,48)