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

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl-(pyridin-2-ylmethyl)amino]benzenecarbonitrile Openeye Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(2-pyridylmethyl)amino]benzonitrile CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl-(2-pyridinylmethyl)amino]benzonitrile IUPAC Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(pyridin-2-ylmethyl)amino]benzonitrile Traditional Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(2-pyridylmethyl)amino]benzonitrile Formula: C28H26N4O MolecularWeight: 434.53224

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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)C(=O)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O/c1-22-18-23(12-13-27(22)28(33)31-15-4-5-16-31)9-7-17-32(21-25-10-2-3-14-30-25)26-11-6-8-24(19-26)20-29/h2-3,6,8,10-14,18-19H,4-5,15-17,21H2,1H3