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

Systemtic Name: 2-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide Openeye Name: 2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 2-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 2-[3-[3-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#CCNC2=CC=CC=C2C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C22H24N4O/c1-16-15-17(10-11-18(16)22(27)26-13-4-5-14-26)7-6-12-25-20-9-3-2-8-19(20)21(23)24/h2-3,8-11,15,25H,4-5,12-14H2,1H3,(H3,23,24)