3,5-bis(chloranyl)-4-[3-[[2-chloranyl-5-(octadecoxyamino)phenyl]amino]-4-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3,5-bis(chloranyl)-4-[3-[[2-chloranyl-5-(octadecoxyamino)phenyl]amino]-4-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3,5-dichloro-4-[3-[2-chloro-5-(octadecoxyamino)anilino]-4-methyl-5-oxo-4H-pyrazol-1-yl]benzonitrile CAS Name: 3,5-dichloro-4-[3-[2-chloro-5-(octadecoxyamino)anilino]-4-methyl-5-oxo-4H-pyrazol-1-yl]benzonitrile IUPAC Name: 3,5-dichloro-4-[3-[2-chloro-5-(octadecoxyamino)anilino]-4-methyl-5-oxo-4H-pyrazol-1-yl]benzonitrile Traditional Name: 3,5-dichloro-4-[3-[2-chloro-5-(stearyloxyamino)anilino]-5-keto-4-methyl-2-pyrazolin-1-yl]benzonitrile Formula: C35H48Cl3N5O2 MolecularWeight: 677.14692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCONC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2C)C3=C(C=C(C=C3Cl)C#N)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCONC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2C)C3=C(C=C(C=C3Cl)C#N)Cl

InChI

InChI=1S/C35H48Cl3N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-45-42-28-19-20-29(36)32(24-28)40-34-26(2)35(44)43(41-34)33-30(37)22-27(25-39)23-31(33)38/h19-20,22-24,26,42H,3-18,21H2,1-2H3,(H,40,41)