N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-(pyrazol-1-ylmethyl)benzyl]-9H-xanthene-9-carboxamide Formula: C25H21N3O2 MolecularWeight: 395.45314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C25H21N3O2/c29-25(26-16-18-10-12-19(13-11-18)17-28-15-5-14-27-28)24-20-6-1-3-8-22(20)30-23-9-4-2-7-21(23)24/h1-15,24H,16-17H2,(H,26,29)