4-[4-(4-pyrrolidin-1-ylcarbonylphenyl)but-3-yn-2-ylamino]benzenecarboximidamide

Systemtic Name: 4-[4-(4-pyrrolidin-1-ylcarbonylphenyl)but-3-yn-2-ylamino]benzenecarboximidamide Openeye Name: 4-[[1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine CAS Name: 4-[4-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]but-3-yn-2-ylamino]benzenecarboximidamide IUPAC Name: 4-[4-[4-(pyrrolidine-1-carbonyl)phenyl]but-3-yn-2-ylamino]benzenecarboximidamide Traditional Name: 4-[[1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(C=C1)C(=O)N2CCCC2)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C#CC1=CC=C(C=C1)C(=O)N2CCCC2)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H24N4O/c1-16(25-20-12-10-18(11-13-20)21(23)24)4-5-17-6-8-19(9-7-17)22(27)26-14-2-3-15-26/h6-13,16,25H,2-3,14-15H2,1H3,(H3,23,24)