3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl-(pyridin-2-ylmethyl)amino]benzenecarboximidamide

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl-(pyridin-2-ylmethyl)amino]benzenecarboximidamide Openeye Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(2-pyridylmethyl)amino]benzamidine CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl-(2-pyridinylmethyl)amino]benzenecarboximidamide IUPAC Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(pyridin-2-ylmethyl)amino]benzenecarboximidamide Traditional Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(2-pyridylmethyl)amino]benzamidine Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=N2)C3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC=N2)C3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4

InChI

InChI=1S/C28H29N5O/c1-21-18-22(12-13-26(21)28(34)32-15-4-5-16-32)8-7-17-33(20-24-10-2-3-14-31-24)25-11-6-9-23(19-25)27(29)30/h2-3,6,9-14,18-19H,4-5,15-17,20H2,1H3,(H3,29,30)