N-[2-(4-methoxyphenyl)ethyl]-5-[[(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]isoxazole-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]isoxazole-3-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=NOC(=C2)CNCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=NOC(=C2)CNCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-26-18-9-7-16(8-10-18)11-12-23-21(25)20-13-19(27-24-20)15-22-14-17-5-3-2-4-6-17/h2-10,13,22H,11-12,14-15H2,1H3,(H,23,25)