4-[3-[3-(hydroxymethyl)-4-(2-methylpyrrolidin-1-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[3-(hydroxymethyl)-4-(2-methylpyrrolidin-1-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[3-(hydroxymethyl)-4-(2-methylpyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[3-(hydroxymethyl)-4-[(2-methyl-1-pyrrolidinyl)-oxomethyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[3-(hydroxymethyl)-4-(2-methylpyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[3-methylol-4-(2-methylpyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)CO

Isomeric SMILES

CC1CCCN1C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)CO

InChI

InChI=1S/C23H26N4O2/c1-16-4-3-13-27(16)23(29)21-11-6-17(14-19(21)15-28)5-2-12-26-20-9-7-18(8-10-20)22(24)25/h6-11,14,16,26,28H,3-4,12-13,15H2,1H3,(H3,24,25)