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

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynoxy]benzenecarbonitrile Openeye Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynoxy]benzonitrile CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynoxy]benzonitrile IUPAC Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynoxy]benzonitrile Traditional Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynoxy]benzonitrile Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCOC2=CC=CC(=C2)C#N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCOC2=CC=CC(=C2)C#N)C(=O)N3CCCC3

InChI

InChI=1S/C22H20N2O2/c1-17-14-18(9-10-21(17)22(25)24-11-2-3-12-24)7-5-13-26-20-8-4-6-19(15-20)16-23/h4,6,8-10,14-15H,2-3,11-13H2,1H3