tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-7-(phenylmethyl)azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-7-(phenylmethyl)azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-benzyl-3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-7-(phenylmethyl)-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-benzyl-3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[7-benzyl-3-[(3-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C32H36ClN3O4 MolecularWeight: 562.09894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H36ClN3O4/c1-32(2,3)40-29(37)21-36-27(17-22-11-6-4-7-12-22)18-24(23-13-8-5-9-14-23)19-28(30(36)38)35-31(39)34-26-16-10-15-25(33)20-26/h4-16,20,24,27-28H,17-19,21H2,1-3H3,(H2,34,35,39)