4-[3-[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[3-[(2-methyl-1-benzimidazolyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]prop-2-ynylamino]benzamidine Formula: C25H23N5 MolecularWeight: 393.48362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC=CC(=C3)C#CCNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC=CC(=C3)C#CCNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5/c1-18-29-23-9-2-3-10-24(23)30(18)17-20-7-4-6-19(16-20)8-5-15-28-22-13-11-21(12-14-22)25(26)27/h2-4,6-7,9-14,16,28H,15,17H2,1H3,(H3,26,27)