4-[4-(4-pyrrolidin-1-ylcarbonylphenyl)but-3-yn-2-ylamino]benzenecarbonitrile

Systemtic Name: 4-[4-(4-pyrrolidin-1-ylcarbonylphenyl)but-3-yn-2-ylamino]benzenecarbonitrile Openeye Name: 4-[[1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzonitrile CAS Name: 4-[4-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]but-3-yn-2-ylamino]benzonitrile IUPAC Name: 4-[4-[4-(pyrrolidine-1-carbonyl)phenyl]but-3-yn-2-ylamino]benzonitrile Traditional Name: 4-[[1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]amino]benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(C=C1)C(=O)N2CCCC2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C#CC1=CC=C(C=C1)C(=O)N2CCCC2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O/c1-17(24-21-12-8-19(16-23)9-13-21)4-5-18-6-10-20(11-7-18)22(26)25-14-2-3-15-25/h6-13,17,24H,2-3,14-15H2,1H3