N-[3-(benzimidazol-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C20H20N6O MolecularWeight: 360.4124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCCNC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCCNC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H20N6O/c27-20(17-8-6-16(7-9-17)12-26-14-21-13-24-26)22-10-3-11-25-15-23-18-4-1-2-5-19(18)25/h1-2,4-9,13-15H,3,10-12H2,(H,22,27)