N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide Openeye Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-(4-nitrophenyl)cyclopentanecarboxamide CAS Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-(4-nitrophenyl)-1-cyclopentanecarboxamide IUPAC Name: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzoxazol-2-yl)benzyl]-1-(4-nitrophenyl)cyclopentanecarboxamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)CNC(=O)C4(CCCC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)CNC(=O)C4(CCCC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O4/c1-18-4-13-23-24(16-18)34-25(29-23)20-7-5-19(6-8-20)17-28-26(31)27(14-2-3-15-27)21-9-11-22(12-10-21)30(32)33/h4-13,16H,2-3,14-15,17H2,1H3,(H,28,31)