N-[3-azanyl-7-(4-chlorophenyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: N-[3-azanyl-7-(4-chlorophenyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]-N-tert-butyl-ethanamide Openeye Name: N-[3-amino-7-(4-chlorophenyl)-2-oxo-5-phenyl-azepan-1-yl]-N-tert-butyl-acetamide CAS Name: N-[3-amino-7-(4-chlorophenyl)-2-oxo-5-phenyl-1-azepanyl]-N-tert-butylacetamide IUPAC Name: N-[3-amino-7-(4-chlorophenyl)-2-oxo-5-phenylazepan-1-yl]-N-tert-butylacetamide Traditional Name: N-[3-amino-7-(4-chlorophenyl)-2-keto-5-phenyl-azepan-1-yl]-N-tert-butyl-acetamide Formula: C24H30ClN3O2 MolecularWeight: 427.9669

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H30ClN3O2/c1-16(29)28(24(2,3)4)27-22(18-10-12-20(25)13-11-18)15-19(14-21(26)23(27)30)17-8-6-5-7-9-17/h5-13,19,21-22H,14-15,26H2,1-4H3