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

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl-(pyridin-3-ylmethyl)amino]benzenecarbonitrile Openeye Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(3-pyridylmethyl)amino]benzonitrile CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl-(3-pyridinylmethyl)amino]benzonitrile IUPAC Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(pyridin-3-ylmethyl)amino]benzonitrile Traditional Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl-(3-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=CN=CC=C2)C3=CC=CC(=C3)C#N)C(=O)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O/c1-22-17-23(11-12-27(22)28(33)31-14-2-3-15-31)9-6-16-32(21-25-8-5-13-30-20-25)26-10-4-7-24(18-26)19-29/h4-5,7-8,10-13,17-18,20H,2-3,14-16,21H2,1H3