N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propanamide Traditional Name: 3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H28N4O2 MolecularWeight: 356.46192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CCC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CCC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C20H28N4O2/c1-16-6-3-4-7-18(16)15-24-10-5-9-23(12-13-24)11-8-20(25)21-19-14-17(2)26-22-19/h3-4,6-7,14H,5,8-13,15H2,1-2H3,(H,21,22,25)