4-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-yn-2-ylamino]benzenecarbonitrile

Systemtic Name: 4-[4-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)but-3-yn-2-ylamino]benzenecarbonitrile Openeye Name: 4-[[1-methyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzonitrile CAS Name: 4-[4-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]but-3-yn-2-ylamino]benzonitrile IUPAC Name: 4-[4-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]but-3-yn-2-ylamino]benzonitrile Traditional Name: 4-[[1-methyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzonitrile Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC(C)NC2=CC=C(C=C2)C#N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC(C)NC2=CC=C(C=C2)C#N)C(=O)N3CCCC3

InChI

InChI=1S/C23H23N3O/c1-17-15-19(9-12-22(17)23(27)26-13-3-4-14-26)6-5-18(2)25-21-10-7-20(16-24)8-11-21/h7-12,15,18,25H,3-4,13-14H2,1-2H3