3-[3-(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarbonitrile

Systemtic Name: 3-[3-(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]benzenecarbonitrile Openeye Name: 3-[3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 3-[3-[2,5-dimethyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 3-[3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 3-[3-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=CC(=C2)C#N)C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=CC(=C2)C#N)C)C(=O)N3CCCC3

InChI

InChI=1S/C23H23N3O/c1-17-14-22(23(27)26-11-3-4-12-26)18(2)13-20(17)8-6-10-25-21-9-5-7-19(15-21)16-24/h5,7,9,13-15,25H,3-4,10-12H2,1-2H3