N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-17-14-22-25(15-18(17)2)35-27(29-22)19-6-9-21(10-7-19)28-26(32)20-8-11-23(24(16-20)31(33)34)30-12-4-3-5-13-30/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,28,32)