2-[3-(4-piperidin-1-ylcarbonylphenyl)prop-2-ynylamino]benzenecarbonitrile

Systemtic Name: 2-[3-(4-piperidin-1-ylcarbonylphenyl)prop-2-ynylamino]benzenecarbonitrile Openeye Name: 2-[3-[4-(piperidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 2-[3-[4-[oxo(1-piperidinyl)methyl]phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 2-[3-[4-(piperidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 2-[3-[4-(piperidine-1-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3O/c23-17-20-8-2-3-9-21(20)24-14-6-7-18-10-12-19(13-11-18)22(26)25-15-4-1-5-16-25/h2-3,8-13,24H,1,4-5,14-16H2