N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloranyl-2-oxidanyl-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloranyl-2-oxidanyl-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloro-2-hydroxy-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-5-chloro-2-hydroxybenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-chloro-2-hydroxybenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloro-2-hydroxy-benzamide Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=C(C=CC(=C3)Cl)O)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=C(C=CC(=C3)Cl)O)C#N)N

InChI

InChI=1S/C20H18ClN5O2/c21-13-8-9-18(27)15(11-13)20(28)24-10-4-7-17-16(12-22)19(23)26(25-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,27H,4,7,10,23H2,(H,24,28)