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

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl-(pyridin-3-ylmethyl)amino]benzenecarboximidamide dihydrochloride Openeye Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(3-pyridylmethyl)amino]benzamidine dihydrochloride CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl-(3-pyridinylmethyl)amino]benzenecarboximidamide dihydrochloride IUPAC Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(pyridin-3-ylmethyl)amino]benzenecarboximidamide dihydrochloride Traditional Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(3-pyridylmethyl)amino]benzamidine dihydrochloride Formula: C28H31Cl2N5O MolecularWeight: 524.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4.Cl.Cl

InChI

InChI=1S/C28H29N5O.2ClH/c1-21-17-22(11-12-26(21)28(34)32-14-2-3-15-32)8-6-16-33(20-23-7-5-13-31-19-23)25-10-4-9-24(18-25)27(29)30;;/h4-5,7,9-13,17-19H,2-3,14-16,20H2,1H3,(H3,29,30);2*1H