3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzamidine CAS Name: 3-[3-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylphenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 3-[3-[3-methyl-4-(3-pyrroline-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=CC(=C2)C(=N)N)C(=O)N3CC=CC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC(=C2)C(=N)N)C(=O)N3CC=CC3

InChI

InChI=1S/C22H22N4O/c1-16-14-17(9-10-20(16)22(27)26-12-2-3-13-26)6-5-11-25-19-8-4-7-18(15-19)21(23)24/h2-4,7-10,14-15,25H,11-13H2,1H3,(H3,23,24)