4-[3-(2-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-(2-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[2-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

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