3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]-4-oxidanyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 4-hydroxy-3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 4-hydroxy-3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 4-hydroxy-3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=C(C=CC(=C2)C#N)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=C(C=CC(=C2)C#N)O)C(=O)N3CCCC3

InChI

InChI=1S/C22H21N3O2/c1-16-13-17(6-8-19(16)22(27)25-11-2-3-12-25)5-4-10-24-20-14-18(15-23)7-9-21(20)26/h6-9,13-14,24,26H,2-3,10-12H2,1H3