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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(phenylcarbamoylamino)benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(phenylcarbamoylamino)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-[[anilino(oxo)methyl]amino]benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-(phenylcarbamoylamino)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(phenylcarbamoylamino)benzamide Formula: C27H25N7O2 MolecularWeight: 479.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C27H25N7O2/c28-18-23-24(33-34(25(23)29)22-10-5-2-6-11-22)12-7-17-30-26(35)19-13-15-21(16-14-19)32-27(36)31-20-8-3-1-4-9-20/h1-6,8-11,13-16H,7,12,17,29H2,(H,30,35)(H2,31,32,36)