1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoate

Systemtic Name: 1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoate Openeye Name: 1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetate Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid 1-adamantyl ester Formula: C37H40ClN3O4 MolecularWeight: 626.1842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)CN4C(CC(CC(C4=O)NC(=O)NC5=CC(=CC=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)CN4C(CC(CC(C4=O)NC(=O)NC5=CC(=CC=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H40ClN3O4/c38-30-12-7-13-31(19-30)39-36(44)40-32-17-29(27-8-3-1-4-9-27)18-33(28-10-5-2-6-11-28)41(35(32)43)23-34(42)45-37-20-24-14-25(21-37)16-26(15-24)22-37/h1-13,19,24-26,29,32-33H,14-18,20-23H2,(H2,39,40,44)