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

Systemtic Name: 4-[3-(3-methoxy-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[3-methoxy-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C22H24N4O2/c1-28-20-15-16(6-11-19(20)22(27)26-13-2-3-14-26)5-4-12-25-18-9-7-17(8-10-18)21(23)24/h6-11,15,25H,2-3,12-14H2,1H3,(H3,23,24)