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

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]acetamide Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C22H32N4O2/c1-17-6-8-18(9-7-17)15-25-10-5-11-26(13-12-25)16-20(27)23-21-14-19(24-28-21)22(2,3)4/h6-9,14H,5,10-13,15-16H2,1-4H3,(H,23,27)