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

Systemtic Name: 3-[3-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide Openeye Name: 3-[benzyl-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-phenyl]prop-2-ynyl]amino]benzamidine CAS Name: 3-[3-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide IUPAC Name: 3-[benzyl-[3-[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylphenyl]prop-2-ynyl]amino]benzenecarboximidamide Traditional Name: 3-[benzyl-[3-[3-methyl-4-(3-pyrroline-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine Formula: C29H28N4O MolecularWeight: 448.55882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)N4CC=CC4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)N4CC=CC4

InChI

InChI=1S/C29H28N4O/c1-22-19-23(14-15-27(22)29(34)32-16-5-6-17-32)11-8-18-33(21-24-9-3-2-4-10-24)26-13-7-12-25(20-26)28(30)31/h2-7,9-10,12-15,19-20H,16-18,21H2,1H3,(H3,30,31)