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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide CAS Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H30N4O4/c1-3-19(2)21-10-14-27-24(17-21)31-29(37-27)20-7-11-23(12-8-20)30-28(34)22-9-13-25(26(18-22)33(35)36)32-15-5-4-6-16-32/h7-14,17-19H,3-6,15-16H2,1-2H3,(H,30,34)