(phenylmethyl) 2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-19-23(24(26-32-19)21-11-6-3-7-12-21)25(30)28-14-8-13-27(15-16-28)17-22(29)31-18-20-9-4-2-5-10-20/h2-7,9-12H,8,13-18H2,1H3