N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=C(O4)C=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=C(O4)C=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-17-10-12-30(13-11-17)23-9-7-19(16-24(23)31(33)34)26(32)28-21-5-3-4-20(15-21)27-29-22-8-6-18(2)14-25(22)35-27/h3-9,14-17H,10-13H2,1-2H3,(H,28,32)