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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4-chlorophenyl)carbonyl-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4-chlorobenzoyl)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-[(4-chlorophenyl)-oxomethyl]benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(4-chlorobenzoyl)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4-chlorobenzoyl)benzamide Formula: C27H22ClN5O2 MolecularWeight: 483.94888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)C#N)N

InChI

InChI=1S/C27H22ClN5O2/c28-19-14-12-18(13-15-19)25(34)21-9-4-5-10-22(21)27(35)31-16-6-11-24-23(17-29)26(30)33(32-24)20-7-2-1-3-8-20/h1-5,7-10,12-15H,6,11,16,30H2,(H,31,35)