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

Systemtic Name: 3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynyl-methyl-amino]benzenecarboximidamide Openeye Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-phenyl]prop-2-ynyl-methyl-amino]benzamidine CAS Name: 3-[3-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]prop-2-ynyl-methylamino]benzenecarboximidamide IUPAC Name: 3-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylphenyl]prop-2-ynyl-methylamino]benzenecarboximidamide Traditional Name: 3-[methyl-[3-[3-methyl-4-(3-pyrroline-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine Formula: C23H24N4O MolecularWeight: 372.46286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O/c1-17-15-18(10-11-21(17)23(28)27-13-3-4-14-27)7-6-12-26(2)20-9-5-8-19(16-20)22(24)25/h3-5,8-11,15-16H,12-14H2,1-2H3,(H3,24,25)