N-tert-butyl-N-[7-(4-fluorophenyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[7-(4-fluorophenyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[7-(4-fluorophenyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[7-(4-fluorophenyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-5-phenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[7-(4-fluorophenyl)-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[7-(4-fluorophenyl)-2-keto-3-[(3-methoxyphenyl)carbamoylamino]-5-phenyl-azepan-1-yl]acetamide Formula: C32H37FN4O4 MolecularWeight: 560.658983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C32H37FN4O4/c1-21(38)37(32(2,3)4)36-29(23-14-16-25(33)17-15-23)19-24(22-10-7-6-8-11-22)18-28(30(36)39)35-31(40)34-26-12-9-13-27(20-26)41-5/h6-17,20,24,28-29H,18-19H2,1-5H3,(H2,34,35,40)