3-[[(E)-3-(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-enyl]amino]benzenecarboximidamide

Systemtic Name: 3-[[(E)-3-(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-enyl]amino]benzenecarboximidamide Openeye Name: 3-[[(E)-3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]allyl]amino]benzamidine CAS Name: 3-[[(E)-3-[2,5-dimethyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-enyl]amino]benzenecarboximidamide IUPAC Name: 3-[[(E)-3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enyl]amino]benzenecarboximidamide Traditional Name: 3-[[(E)-3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]allyl]amino]benzamidine Formula: C23H28N4O MolecularWeight: 376.49462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=CCNC2=CC=CC(=C2)C(=N)N)C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1/C=C/CNC2=CC=CC(=C2)C(=N)N)C)C(=O)N3CCCC3

InChI

InChI=1S/C23H28N4O/c1-16-14-21(23(28)27-11-3-4-12-27)17(2)13-18(16)8-6-10-26-20-9-5-7-19(15-20)22(24)25/h5-9,13-15,26H,3-4,10-12H2,1-2H3,(H3,24,25)/b8-6+