3-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-ynylamino]benzenecarboximidamide

Systemtic Name: 3-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-ynylamino]benzenecarboximidamide Openeye Name: 3-[4-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]but-3-ynylamino]benzamidine CAS Name: 3-[4-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]but-3-ynylamino]benzenecarboximidamide IUPAC Name: 3-[4-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]but-3-ynylamino]benzenecarboximidamide Traditional Name: 3-[4-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]but-3-ynylamino]benzamidine Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCCNC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCCNC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C23H26N4O/c1-17-15-18(10-11-21(17)23(28)27-13-4-5-14-27)7-2-3-12-26-20-9-6-8-19(16-20)22(24)25/h6,8-11,15-16,26H,3-5,12-14H2,1H3,(H3,24,25)