4-[3-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-[[2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[4-(2-methylolpyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)CO

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)CO

InChI

InChI=1S/C22H24N4O2/c23-21(24)17-9-11-19(12-10-17)25-13-1-3-16-5-7-18(8-6-16)22(28)26-14-2-4-20(26)15-27/h5-12,20,25,27H,2,4,13-15H2,(H3,23,24)