4-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-yn-2-ylamino]benzenecarboximidamide

Systemtic Name: 4-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-yn-2-ylamino]benzenecarboximidamide Openeye Name: 4-[[1-methyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine CAS Name: 4-[4-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]but-3-yn-2-ylamino]benzenecarboximidamide IUPAC Name: 4-[4-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]but-3-yn-2-ylamino]benzenecarboximidamide Traditional Name: 4-[[1-methyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC(C)NC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC(C)NC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C23H26N4O/c1-16-15-18(7-12-21(16)23(28)27-13-3-4-14-27)6-5-17(2)26-20-10-8-19(9-11-20)22(24)25/h7-12,15,17,26H,3-4,13-14H2,1-2H3,(H3,24,25)