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

Systemtic Name: 2-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: 2-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-7-cyclohexyl-2-oxo-5-phenyl-1-azepanyl]acetic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-7-cyclohexyl-2-keto-5-phenyl-azepan-1-yl]acetic acid 2-adamantyl ester Formula: C37H46ClN3O4 MolecularWeight: 632.23184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(CC(C(=O)N2CC(=O)OC3C4CC5CC(C4)CC3C5)NC(=O)NC6=CC(=CC=C6)Cl)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)C2CC(CC(C(=O)N2CC(=O)OC3C4CC5CC(C4)CC3C5)NC(=O)NC6=CC(=CC=C6)Cl)C7=CC=CC=C7

InChI

InChI=1S/C37H46ClN3O4/c38-30-12-7-13-31(21-30)39-37(44)40-32-19-27(25-8-3-1-4-9-25)20-33(26-10-5-2-6-11-26)41(36(32)43)22-34(42)45-35-28-15-23-14-24(17-28)18-29(35)16-23/h1,3-4,7-9,12-13,21,23-24,26-29,32-33,35H,2,5-6,10-11,14-20,22H2,(H2,39,40,44)