[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethynylphenyl)methanone

Systemtic Name: [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethynylphenyl)methanone Openeye Name: [4-[3-(aminomethyl)phenyl]-1-piperidyl]-(2-ethynylphenyl)methanone CAS Name: [4-[3-(aminomethyl)phenyl]-1-piperidinyl]-(2-ethynylphenyl)methanone IUPAC Name: [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethynylphenyl)methanone Traditional Name: [4-[3-(aminomethyl)phenyl]piperidino]-(2-ethynylphenyl)methanone Formula: C21H22N2O MolecularWeight: 318.41218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1C(=O)N2CCC(CC2)C3=CC(=CC=C3)CN

Isomeric SMILES

C#CC1=CC=CC=C1C(=O)N2CCC(CC2)C3=CC(=CC=C3)CN

InChI

InChI=1S/C21H22N2O/c1-2-17-7-3-4-9-20(17)21(24)23-12-10-18(11-13-23)19-8-5-6-16(14-19)15-22/h1,3-9,14,18H,10-13,15,22H2