tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-7-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-2-oxo-7-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetate Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-keto-7-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C25H30ClN3O4 MolecularWeight: 471.9764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H30ClN3O4/c1-25(2,3)33-22(30)16-29-21(17-9-5-4-6-10-17)14-8-13-20(23(29)31)28-24(32)27-19-12-7-11-18(26)15-19/h4-7,9-12,15,20-21H,8,13-14,16H2,1-3H3,(H2,27,28,32)