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

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide hydrochloride Openeye Name: 3-[benzyl-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine hydrochloride CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl-(phenylmethyl)amino]benzenecarboximidamide hydrochloride IUPAC Name: 3-[benzyl-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzenecarboximidamide hydrochloride Traditional Name: 3-[benzyl-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzamidine hydrochloride Formula: C29H31ClN4O MolecularWeight: 487.03564

Click to see the large picture

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)N4CCCC4.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O.ClH/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;/h2-4,7,9-10,12-15,19-20H,5-6,16-18,21H2,1H3,(H3,30,31);1H